data_1v5p_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 1v5p _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 ' 16' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 39' ' ' LEU . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.464 0.173 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 27.9 t30 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 48' ' ' TRP . 27.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.477 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CD1' HD23 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 76' ' ' ILE . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 115' ' ' LEU . 10.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.58 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 51' ' ' ASP . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.452 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 51.2 mm-40 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.415 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.454 0.168 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.695 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ALA . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 39' ' ' LEU . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 39' ' ' LEU . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.486 0.184 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE2' HD23 ' A' ' 100' ' ' LEU . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG13 ' CD1' ' A' ' 48' ' ' TRP . 12.5 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.61 ' CG2' ' CD1' ' A' ' 99' ' ' PHE . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CG2' HG12 ' A' ' 71' ' ' ILE . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 HD23 ' CE2' ' A' ' 37' ' ' PHE . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' NH1' ' CE ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 115' ' ' LEU . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.456 ' CE ' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 48' ' ' TRP . 27.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.448 HD22 ' CE2' ' A' ' 37' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.428 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.52 ' CD2' HD12 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 76' ' ' ILE . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 39' ' ' LEU . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.472 0.177 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.651 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 39' ' ' LEU . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CZ ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' TRP . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' NH2' ' A' ' 35' ' ' ARG . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 48' ' ' TRP . 15.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.44 ' CB ' HG22 ' A' ' 69' ' ' THR . 2.8 mm100 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 76' ' ' ILE . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.468 0.175 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.596 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.499 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.51 ' CD1' HD21 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 39' ' ' LEU . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CZ ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 ' CD1' ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.524 0.202 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.522 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 46' ' ' LEU . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.415 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.453 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.548 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.493 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.481 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.486 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CD1' HD22 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 39' ' ' LEU . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 115' ' ' LEU . 12.4 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 114' ' ' ALA . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.542 0.211 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD11 ' NH2' ' A' ' 35' ' ' ARG . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' CB ' ' A' ' 114' ' ' ALA . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.449 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' CE1' ' A' ' 99' ' ' PHE . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 76' ' ' ILE . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.482 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.482 HG22 ' CD ' ' A' ' 16' ' ' ARG . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' MET . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.427 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.499 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 99' ' ' PHE . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 71' ' ' ILE . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 116' ' ' ASN . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 39' ' ' LEU . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.7 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' NH2' ' A' ' 35' ' ' ARG . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 36' ' ' TYR . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 46' ' ' LEU . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 t30 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.408 ' HB3' ' CD1' ' A' ' 37' ' ' PHE . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.454 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' OE1' ' CE2' ' A' ' 70' ' ' TYR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.498 ' CG1' ' CG2' ' A' ' 91' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 100' ' ' LEU . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 99' ' ' PHE . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 71' ' ' ILE . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.508 0.194 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 26.7 t30 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 48' ' ' TRP . 28.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.537 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.415 HG21 ' CB ' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.54 0.209 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 100' ' ' LEU . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CE1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.428 ' CD2' HD13 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HD12 ' A' ' 39' ' ' LEU . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' CE3' ' A' ' 111' ' ' TRP . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.18 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 17' ' ' ILE . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 26.6 t30 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.459 ' HE1' ' CZ ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.524 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.461 0.172 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 100' ' ' LEU . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.654 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.466 ' CG2' HG12 ' A' ' 71' ' ' ILE . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' ASN . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.401 ' CB ' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.551 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 46' ' ' LEU . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.555 ' CG2' ' NE ' ' A' ' 16' ' ' ARG . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 114' ' ' ALA . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 37' ' ' PHE . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.415 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.475 0.179 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.579 HG21 ' CE1' ' A' ' 99' ' ' PHE . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.416 ' CD2' ' H ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CE1' HG21 ' A' ' 90' ' ' VAL . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.425 HG21 ' CB ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' CD1' ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.546 0.212 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 115' ' ' LEU . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.532 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TRP . 13.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.482 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.589 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.428 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.412 ' CE2' ' CD1' ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 76' ' ' ILE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.458 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.504 ' CD2' HD12 ' A' ' 39' ' ' LEU . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' ' HD1' ' A' ' 36' ' ' TYR . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' CG1' ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 38' ' ' ILE . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' HD13 ' A' ' 46' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 36' ' ' TYR . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 115' ' ' LEU . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.483 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 14.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.41 ' CA ' HD12 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.431 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 99' ' ' PHE . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.506 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 89' ' ' PHE . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 39' ' ' LEU . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.476 0.179 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.3 mm-40 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 72' ' ' SER . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 71' ' ' ILE . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.507 0.194 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 99' ' ' PHE . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 90' ' ' VAL . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.402 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 89' ' ' PHE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.479 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' CD ' HG21 ' A' ' 38' ' ' ILE . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 HG23 ' CB ' ' A' ' 114' ' ' ALA . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.528 0.204 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 HD13 ' NH2' ' A' ' 35' ' ' ARG . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NE ' ' SD ' ' A' ' 50' ' ' MET . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.485 HG21 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 50' ' ' MET . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ILE . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' TYR . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.502 ' CD1' HG23 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.489 0.185 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.581 HG23 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.506 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CD1' HD23 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG23 ' CD1' ' A' ' 76' ' ' ILE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 39' ' ' LEU . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.522 HG23 ' CE3' ' A' ' 111' ' ' TRP . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 30.9 m-85 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' NH2' ' CE ' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 115' ' ' LEU . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 37' ' ' PHE . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.563 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 99' ' ' PHE . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 93' ' ' ALA . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' N ' ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.473 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CE3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 89' ' ' PHE . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 39' ' ' LEU . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 114' ' ' ALA . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.548 0.213 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 48' ' ' TRP . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 114' ' ' ALA . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.529 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 8.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.529 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' CB ' HG23 ' A' ' 112' ' ' VAL . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.698 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 37' ' ' PHE . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 89' ' ' PHE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 39' ' ' LEU . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 115' ' ' LEU . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' N ' HD11 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 48' ' ' TRP . 27.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.479 0.18 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CE1' HD12 ' A' ' 100' ' ' LEU . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.654 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 71' ' ' ILE . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 39' ' ' LEU . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.61 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.93 118.96 36.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 142.25 15.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.09 167.35 13.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.4 145.83 51.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.16 -74.96 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mtt -156.45 92.77 2.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.11 2.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -144.47 171.95 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.7 t 66.88 152.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 13' ' ' ARG . 13.0 t70 -178.84 170.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER 64.17 57.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' CG ' HG22 ' A' ' 41' ' ' THR . 2.7 pm0 -40.92 -35.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 64.73 128.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 -65.18 146.5 54.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 39' ' ' LEU . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.22 107.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 63.8 t0 -46.93 127.53 10.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.0 -15.38 43.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.65 47.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 168.91 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.95 79.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.067 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 150.42 -38.26 0.89 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.63 132.76 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 65.5 m-85 -112.32 145.71 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 14' ' ' GLN . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 27.9 t30 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.31 171.35 18.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -40.91 138.67 1.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -18.91 53.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.34 -22.76 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.47 -171.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -108.38 145.08 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -45.3 -36.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.65 34.35 3.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -101.53 179.06 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.25 -167.91 19.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.94 144.4 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 48' ' ' TRP . 27.4 m -67.58 -21.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' ILE . . . -52.54 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 5.2 p -137.89 164.89 37.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.3 Cg_endo -74.95 -0.1 9.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.81 -8.89 20.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.78 -53.73 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.5 mmtt -152.21 81.09 5.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.408 ' HG3' ' O ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.99 -170.87 0.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 67.22 18.12 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 p -138.27 116.32 9.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -95.52 75.95 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CD1' HD23 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 76' ' ' ILE . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 115' ' ' LEU . 10.3 p -82.51 -41.83 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.2 32.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.5 m 39.23 33.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.2 -147.46 30.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.72 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.7 m -155.69 168.42 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.9 p -86.95 141.07 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 171.34 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -119.99 170.01 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.58 10.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -156.59 172.7 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -124.16 -54.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.14 -84.05 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -148.07 71.42 11.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -176.84 3.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' CG1' ' A' ' 11' ' ' VAL . 64.0 m-85 -118.41 166.74 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG22 ' CG ' ' A' ' 14' ' ' GLN . 1.5 p 40.9 90.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -68.49 141.03 55.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 43.93 61.88 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.3 mt-30 -45.2 -35.35 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 83.64 -8.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 6.8 ttt180 160.37 145.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 -72.96 113.23 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -90.39 151.27 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.99 0.48 27.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -134.73 17.19 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.06 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.52 -45.6 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -80.9 150.09 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 -115.62 143.11 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' CE1' ' ND2' ' A' ' 52' ' ' ASN . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.58 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 51' ' ' ASP . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.452 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 -150.79 161.2 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 7.3 m120 -42.26 148.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.43 10.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.42 -11.62 35.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.72 -32.93 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.19 -169.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.76 175.07 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.97 -50.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.2 44.12 3.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.72 161.66 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.81 -143.42 7.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.03 146.51 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 t -70.6 -32.32 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 51.2 mm-40 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.415 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . -57.25 177.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -136.87 169.23 13.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -94.44 -17.98 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.86 -48.33 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.2 mmtm -147.11 80.64 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 74.84 22.33 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.3 p -138.79 113.78 8.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -93.43 75.94 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.695 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ALA . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' CE ' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 39' ' ' LEU . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -90.26 -3.41 57.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 38.5 82.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -53.92 -21.08 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -152.31 163.49 30.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.19 3.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.4 t -127.77 136.61 51.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t -134.13 107.11 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 64.08 -78.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 29.3 t -73.3 -57.81 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -128.93 6.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -117.72 137.62 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -177.0 135.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.94 -69.35 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -174.19 63.93 0.27 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -74.99 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.567 1.825 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' VAL . 1.0 OUTLIER -130.58 -145.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' TYR . 5.1 p -38.41 113.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.41 -173.06 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -89.15 22.63 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -36.61 -36.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.44 127.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 -78.95 144.92 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 39' ' ' LEU . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 138.49 43.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 26' ' ' ASN . 19.6 t70 -116.57 168.58 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 25' ' ' ASP . 62.6 t30 -89.36 15.89 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -62.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -136.93 18.67 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.39 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.95 -18.83 1.96 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 141.66 33.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -103.93 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.468 ' CD2' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE2' HD23 ' A' ' 100' ' ' LEU . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.4 169.21 18.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -45.65 148.91 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.95 -15.43 20.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.31 -22.56 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -93.26 -34.44 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.27 -169.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.04 177.65 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.8 t -82.69 123.65 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.99 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.67 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.62 -136.13 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.9 135.03 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG13 ' CD1' ' A' ' 48' ' ' TRP . 12.5 p -65.15 -12.76 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.47 169.14 9.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.15 174.48 4.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.95 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -66.93 -23.36 65.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 2.9 mt-30 -101.37 -52.42 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 3.4 mmtm -149.24 86.69 5.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.23 7.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mttp 75.23 12.63 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 p -136.83 112.37 9.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -101.78 77.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.61 ' CG2' ' CD1' ' A' ' 99' ' ' PHE . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CG2' HG12 ' A' ' 71' ' ' ILE . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 HD23 ' CE2' ' A' ' 37' ' ' PHE . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -77.92 -53.69 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.86 -10.17 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 2.2 t -105.88 30.68 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.71 -146.72 4.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.23 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.8 p -158.98 -57.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 m 43.01 86.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -123.57 -57.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.11 132.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.59 -158.0 51.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.84 138.05 38.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -41.65 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 -86.24 0.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 2.1 ttt -74.99 -51.95 3.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -74.99 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -136.31 174.6 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 t 60.81 162.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.48 20.17 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 55.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -93.79 33.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 2.7 p30 -125.37 -149.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -39.58 110.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.73 130.72 38.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 13.0 t0 -76.57 151.35 36.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.7 -30.62 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 1.3 mt-10 -100.3 75.88 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 7.5 m-20 169.64 150.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.9 p -80.32 69.4 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.42 72.98 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -125.94 127.01 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -98.83 124.28 43.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' NH1' ' CE ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 115' ' ' LEU . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.456 ' CE ' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -153.38 170.11 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.445 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 8.2 p-10 -50.68 148.86 6.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.43 19.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.773 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -81.94 -10.99 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -18.28 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.5 -172.33 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.96 175.89 5.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.63 -51.53 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.79 44.21 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.16 178.14 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.44 -162.1 10.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.31 147.28 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 48' ' ' TRP . 27.3 m -66.94 -24.41 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.61 132.6 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -92.18 170.83 8.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.43 8.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -12.17 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.72 -52.48 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -149.02 82.92 6.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.65 14.45 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -129.8 114.38 17.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -99.86 75.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.448 HD22 ' CE2' ' A' ' 37' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.428 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.52 ' CD2' HD12 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 76' ' ' ILE . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 39' ' ' LEU . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.76 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -85.78 7.88 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 3.9 m 58.92 30.02 19.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.91 -171.59 16.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -33.92 4.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -178.87 125.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.89 125.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -68.9 151.01 47.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.7 110.32 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.0 122.85 6.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -55.97 109.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -111.4 126.95 55.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.81 92.81 1.8 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 mtm 48.44 90.16 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -124.97 150.08 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.6 t 63.78 70.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 167.93 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.91 56.98 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -102.6 35.69 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -81.3 77.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.94 105.09 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.96 136.71 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -123.46 173.5 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -89.3 18.29 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -78.75 82.65 4.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 11.3 m-20 84.88 8.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 47.36 98.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.46 25.83 3.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.39 120.73 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.76 140.83 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.21 169.24 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.577 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 1.2 m120 -47.99 142.37 7.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.9 20.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.67 -14.56 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.7 -173.89 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.33 173.05 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.02 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.3 28.92 6.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.24 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.16 -160.24 8.38 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.3 148.14 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 t -72.64 -32.13 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -40.09 125.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -73.68 160.19 82.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 69.35 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -177.38 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' OE1' ' CD ' ' A' ' 97' ' ' ARG . 3.1 mt-30 -77.01 -51.65 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.2 mmmt -148.52 72.4 10.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 -177.57 3.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 85.22 -50.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 36.6 p -66.12 130.32 94.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 -72.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -98.75 80.43 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.651 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' CD ' ' OE1' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 39' ' ' LEU . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' SER . 0.2 OUTLIER -88.41 -20.51 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 38.93 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' SER . 41.0 t 41.51 35.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.98 159.79 26.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 53.97 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p 43.0 77.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.9 p -70.7 -59.53 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 53.88 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.05 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p 56.44 164.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -68.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -90.93 106.48 18.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -58.87 -58.65 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.82 -58.56 3.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.23 90.84 0.94 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -164.07 174.85 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.51 132.3 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -92.42 -165.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 45.89 62.55 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' ASN . 5.3 mt-30 -41.93 -34.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' GLN . 5.4 m120 61.71 124.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CZ ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 -77.52 148.74 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.11 123.79 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -102.03 170.04 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.88 8.55 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.85 -54.1 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -149.33 -146.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -121.55 87.89 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.91 40.15 1.22 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.56 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -120.04 129.12 54.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' TRP . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' NH2' ' A' ' 35' ' ' ARG . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.78 169.78 21.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -43.94 144.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -22.01 15.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -70.06 -10.48 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -107.81 -27.95 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.7 -172.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.92 156.1 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 p -53.37 -39.66 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.17 35.13 3.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -100.49 177.03 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 0.733 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 -167.45 17.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.45 144.66 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 48' ' ' TRP . 15.8 m -67.63 -24.21 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.44 ' CB ' HG22 ' A' ' 69' ' ' THR . 2.8 mm100 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 76' ' ' ILE . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . -40.24 122.66 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -70.76 160.73 81.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.32 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -177.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.51 -63.7 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 16.2 mmmt -146.67 71.77 12.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 9.7 mttp 80.81 26.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -132.22 114.41 14.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -75.04 105.81 2.15 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 72.11 73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.596 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.499 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.51 ' CD1' HD21 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 39' ' ' LEU . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p -73.45 -47.24 43.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -70.41 -7.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 70.73 -59.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.36 153.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.85 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 160.58 34.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 40.7 p -47.67 106.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -76.29 151.63 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.37 -62.72 0.32 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.73 153.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -161.61 163.84 29.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 57.57 4.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 38.74 86.82 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' VAL . 4.7 t80 -176.89 165.05 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.4 p 41.64 90.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.51 126.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.85 58.28 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -21.18 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.59 -16.31 60.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CZ ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 168.69 120.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' CD1' ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 -73.47 121.05 19.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.12 169.78 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -89.16 14.8 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -58.1 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -142.01 19.32 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.9 85.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.48 1.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.86 138.1 31.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 -107.59 131.93 53.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 52' ' ' ASN . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 46' ' ' LEU . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.415 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.453 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.548 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.36 158.0 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 36' ' ' TYR . 30.8 m-80 -40.61 149.52 0.32 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.34 18.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -21.09 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -96.94 -32.6 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.37 -171.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -101.45 146.32 27.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 p -45.24 -45.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.73 38.0 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -92.37 159.89 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -118.72 -143.86 7.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.71 131.92 40.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p -68.54 -21.34 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.493 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.2 166.35 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -127.66 171.66 7.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.9 -9.86 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -116.25 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -143.23 84.29 10.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 178.45 7.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.1 OUTLIER 82.18 -4.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.5 p -114.03 116.43 44.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -92.19 74.53 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.481 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.486 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CD1' HD22 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 39' ' ' LEU . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' LYS . 12.4 p -96.53 -14.24 22.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 36.58 81.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.3 t -89.98 19.77 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.43 42.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.24 3.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.8 p -72.76 136.02 45.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 m -169.37 162.21 10.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -176.22 124.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -137.73 115.46 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 -172.14 14.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -156.76 166.81 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.063 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -69.38 -57.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.62 99.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mtm 39.82 87.35 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.52 172.99 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.4 t -56.19 122.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.44 150.53 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.6 58.79 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -44.76 -33.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 61.99 94.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 61.42 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 114' ' ' ALA . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.32 125.57 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 32.2 t0 -62.75 140.64 58.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.33 -27.7 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.83 49.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 167.24 130.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -104.36 78.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.89 -45.84 0.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 149.48 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -119.71 155.25 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' CB ' ' A' ' 114' ' ' ALA . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.449 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.38 163.28 34.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 4.3 m-20 -43.7 144.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.16 20.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -79.42 -14.59 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.79 -28.32 11.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.05 -169.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 174.97 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.48 -50.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.89 42.95 3.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.87 168.13 14.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.42 -150.77 8.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.93 132.43 42.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p -69.83 -10.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.7 -178.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -138.46 168.88 14.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -7.87 19.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -9.96 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 97' ' ' ARG . 38.5 mt-30 -116.74 -63.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -139.63 83.64 16.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.85 20.43 10.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.0 p -141.96 110.03 6.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.43 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 -105.95 71.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' CE1' ' A' ' 99' ' ' PHE . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HE ' ' NE2' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 76' ' ' ILE . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' O ' ' CD ' ' A' ' 120' ' ' LYS . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -129.47 1.91 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 117' ' ' GLN . 1.3 mppt? 33.18 75.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.2 m -140.57 17.39 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -133.6 159.91 23.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -32.51 5.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 m 64.83 168.18 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -131.45 81.47 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.75 164.22 36.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -51.81 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.86 -124.48 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.93 120.52 3.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 p -57.22 170.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.18 -45.91 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.478 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -39.58 -52.05 4.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 -171.4 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -84.12 80.0 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -175.35 128.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -157.17 26.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -72.98 58.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -91.61 17.6 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 53.91 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -119.82 144.49 47.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.92 135.66 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -117.25 168.93 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -82.34 0.1 43.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.05 -46.61 22.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -149.12 -146.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 m -133.38 93.44 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.991 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.88 20.78 6.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.18 140.52 49.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -119.82 158.34 26.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.482 HG22 ' CD ' ' A' ' 16' ' ' ARG . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 115' ' ' LEU . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' MET . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.427 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.73 163.64 32.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -42.21 148.23 0.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 18.1 Cg_endo -75.0 -16.29 20.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -93.88 -31.55 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.59 -166.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.59 174.5 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.14 -50.16 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.91 31.93 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 158.68 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.5 -138.95 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.44 145.09 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 t -72.29 -33.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -72.6 148.28 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.23 173.37 2.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.12 8.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.35 -2.92 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 mt-30 -120.93 -58.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.518 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 2.9 mmtm -148.59 81.49 7.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 90.47 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 88' ' ' CYS . 10.0 t -133.2 136.28 27.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.98 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 -83.34 80.42 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.189 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 99' ' ' PHE . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 71' ' ' ILE . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.438 ' CG ' HG23 ' A' ' 85' ' ' THR . 0.5 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 116' ' ' ASN . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 39' ' ' LEU . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -61.27 -44.31 97.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -81.45 0.85 35.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 m -121.05 31.12 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.02 -145.09 13.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.74 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.93 -55.6 28.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.14 -55.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.09 126.18 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -176.19 117.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 96.96 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -146.82 146.51 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.82 174.35 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -73.35 0.66 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.9 mtp -78.03 -51.47 1.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -75.03 156.67 42.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -151.46 176.76 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.8 t 62.0 121.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 121.39 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -80.6 57.9 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.29 34.37 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 41' ' ' THR . 64.8 m-80 -69.33 71.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -81.73 127.13 32.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -104.52 170.61 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -88.85 13.99 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.84 -53.69 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -144.05 -146.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.42 94.25 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.43 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.59 146.84 49.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.7 m-85 -128.62 155.81 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' NH2' ' A' ' 35' ' ' ARG . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 36' ' ' TYR . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 46' ' ' LEU . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 t30 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.408 ' HB3' ' CD1' ' A' ' 37' ' ' PHE . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CD2' ' O ' ' A' ' 61' ' ' GLY . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.454 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.72 167.74 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -42.75 137.62 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.65 16.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -11.2 60.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -108.61 -22.14 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.18 -172.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -115.28 153.59 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -48.67 -56.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.86 -25.65 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -58.22 175.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -150.52 -153.13 6.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.37 148.69 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.46 -30.69 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' OE1' ' CE2' ' A' ' 70' ' ' TYR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.498 ' CG1' ' CG2' ' A' ' 91' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 152.66 45.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.456 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 6.8 p -105.51 168.94 7.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.4 Cg_endo -74.97 -28.17 9.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.443 1.759 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.16 -13.78 62.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 25.5 mt-30 -106.37 -53.16 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 4.2 mmtm -151.08 84.22 5.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.82 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.72 4.48 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.401 ' OG1' ' SG ' ' A' ' 88' ' ' CYS . 37.9 p -129.73 111.36 17.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -74.98 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -106.51 76.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' OG1' ' A' ' 85' ' ' THR . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 100' ' ' LEU . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 99' ' ' PHE . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 71' ' ' ILE . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -1.69 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.25 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -87.58 35.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 146.35 176.56 20.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.71 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -75.18 123.21 24.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.5 t -168.72 98.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -141.97 150.52 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -170.84 147.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.53 76.66 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 145.17 30.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -72.33 108.17 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.78 2.55 33.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.642 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 3.5 ttp -68.22 -41.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.06 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 9' ' ' PRO . 58.8 m-85 -153.96 -173.09 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -55.2 118.4 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 178.43 143.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.36 56.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -104.28 35.61 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -66.49 -12.07 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.46 110.92 6.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 -62.81 116.08 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 54.8 t0 -80.08 140.26 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 10.3 t-20 -64.72 -13.4 54.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.97 -41.38 97.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 70.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.0 -36.84 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -100.04 140.89 33.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 -107.36 149.9 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' CE1' ' OD1' ' A' ' 52' ' ' ASN . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD2' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 26.7 t30 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.55 166.41 32.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 2.8 m120 -46.71 148.2 1.87 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.07 19.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -80.26 -14.15 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -106.74 -28.84 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.61 -170.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.69 171.97 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.49 -49.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.51 43.49 3.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.41 -177.15 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -164.17 12.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 143.08 45.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 48' ' ' TRP . 28.4 m -68.7 -17.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.537 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.415 HG21 ' CB ' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.49 126.0 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -85.85 170.58 12.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -14.11 25.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.75 -53.27 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 11.7 mmmt -145.22 81.55 10.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.4 2.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 75.71 -57.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -57.35 119.54 32.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -92.04 75.48 5.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 100' ' ' LEU . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CE1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.428 ' CD2' HD13 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HD12 ' A' ' 39' ' ' LEU . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -59.58 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -14.65 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' GLY . 75.2 m 39.12 37.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . . . -37.32 156.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.32 12.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 t -124.33 -58.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.4 p -40.77 125.47 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.07 -60.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -39.89 129.87 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 167.96 17.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -104.44 157.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -70.18 111.87 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -122.1 97.18 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.19 -52.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 148.34 35.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' VAL . 0.5 OUTLIER 56.91 159.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.3 p 40.37 90.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -176.49 174.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -86.77 58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -90.96 27.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -170.12 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 -71.26 121.92 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' CE3' ' A' ' 111' ' ' TRP . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.19 121.02 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 27.9 t70 -101.39 170.78 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -89.17 8.21 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' OD2' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -53.14 -50.23 64.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -142.58 -146.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -135.62 97.68 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 18.02 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.92 143.32 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 -122.33 155.73 35.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 17' ' ' ILE . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 26.6 t30 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' HE1' ' CZ ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.14 158.32 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 9.0 m-80 -42.2 149.85 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -19.64 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -15.53 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -103.4 -30.66 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.11 -169.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.25 176.22 6.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.03 -49.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.32 3.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.94 165.74 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.99 -149.45 9.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 49' ' ' TYR . . . -135.2 132.03 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.524 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p -65.48 -15.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . -68.08 129.15 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -85.3 171.18 11.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.65 12.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -10.65 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -113.45 -53.53 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' ' OG1' ' A' ' 85' ' ' THR . 7.2 mmtt -146.71 82.33 8.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.07 175.93 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 1.0 OUTLIER 82.1 -3.83 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 12.0 p -118.28 113.71 36.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -94.2 76.95 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 100' ' ' LEU . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.654 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.466 ' CG2' HG12 ' A' ' 71' ' ' ILE . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' ASN . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' CB ' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.86 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -1.74 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 24.9 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.05 -145.44 18.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.44 3.62 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.9 p -152.5 110.65 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.9 p -161.69 169.7 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -120.49 -58.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 81.21 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.94 120.84 2.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.33 133.58 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -151.43 -53.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.964 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.2 66.38 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.87 87.68 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -130.84 41.48 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.57 151.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 173.68 173.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -80.94 65.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -91.39 33.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.66 -145.45 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 -165.44 119.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.34 118.61 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.6 p-10 -75.41 143.49 42.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -79.68 -12.68 59.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -10.76 59.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' GLY . 11.5 m-80 -167.51 100.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.08 70.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . -179.41 -39.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -98.16 151.46 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.08 142.23 50.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 46' ' ' LEU . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.555 ' CG2' ' NE ' ' A' ' 16' ' ' ARG . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 114' ' ' ALA . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 37' ' ' PHE . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.415 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -147.63 171.81 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.57 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 7.7 m120 -46.81 142.13 5.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.97 11.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -106.54 -24.99 12.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.88 -171.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.31 177.67 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.87 -39.65 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.43 28.66 6.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.96 -177.28 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.41 -162.97 11.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.17 150.41 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.61 -30.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . -62.26 130.37 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.3 p -76.42 158.68 81.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.66 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -172.98 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 7.8 mmtt -149.83 73.62 9.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.94 15.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 80.52 27.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.7 p -133.66 110.19 12.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.579 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -74.97 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.006 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 72.64 69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.579 HG21 ' CE1' ' A' ' 99' ' ' PHE . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' CD2' ' H ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' LYS . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -87.51 12.14 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.5 t -39.65 -34.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.61 155.26 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.2 m -46.16 -54.69 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -114.43 145.11 42.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m 61.25 164.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.22 81.26 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -166.59 82.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 60.66 150.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.09 -79.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.65 65.65 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.22 33.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 54.46 166.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.12 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.69 161.21 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.05 58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -46.9 -33.24 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.12 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 103.01 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.425 HG21 ' CB ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' CD1' ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 -68.55 123.84 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.57 135.25 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -15.14 33.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.05 102.69 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 69.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.97 -41.63 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 158.52 16.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 -127.92 136.69 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.495 ' CE1' ' OD1' ' A' ' 52' ' ' ASN . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 115' ' ' LEU . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.532 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 -153.8 162.84 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 10.1 m-80 -41.29 147.67 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.95 19.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -64.83 -23.36 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -97.48 -29.5 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -71.21 -168.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.83 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.9 -52.11 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.13 7.14 64.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.74 150.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.46 -135.59 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.16 133.72 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TRP . 13.4 p -67.81 -13.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.48 140.1 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -101.35 171.6 5.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.8 14.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -10.99 43.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -116.96 -59.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 9.4 mmtt -141.67 82.97 13.48 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 66.67 20.58 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 24.5 p -135.38 115.19 11.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -87.8 74.08 9.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.589 HG21 ' CE1' ' A' ' 99' ' ' PHE . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.428 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.412 ' CE2' ' CD1' ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 76' ' ' ILE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.504 ' CD2' HD12 ' A' ' 39' ' ' LEU . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 121' ' ' SER . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -40.64 61.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 122' ' ' GLY . 0.1 OUTLIER -76.62 -2.11 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 117' ' ' GLN . 31.8 t -43.56 -27.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 120' ' ' LYS . . . -146.11 155.74 26.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.18 84.35 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.6 p 43.2 77.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m 62.28 114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -134.78 162.07 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.58 -129.21 5.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -130.11 155.67 45.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 178.17 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.97 -63.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.23 65.87 2.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG3' ' CB ' ' A' ' 6' ' ' SER . 18.2 Cg_endo -75.0 154.74 42.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.08 162.86 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.5 t 64.35 57.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p30 178.46 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.04 56.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 1.9 pm0 -41.14 -32.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 90.3 m-20 56.26 96.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.83 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' ' HD1' ' A' ' 36' ' ' TYR . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -59.32 131.86 52.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 38.8 t70 -113.15 171.51 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASN . 50.1 t-20 -82.22 4.84 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 2.4 mm-40 -65.65 72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 6.7 m-20 84.82 17.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ASN . 26.0 m 38.51 85.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.3 -36.26 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 126.43 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 -95.94 147.14 23.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' CG1' ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 38' ' ' ILE . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' HD13 ' A' ' 46' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 36' ' ' TYR . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 115' ' ' LEU . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.624 ' CD2' ' O ' ' A' ' 61' ' ' GLY . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.57 176.91 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -45.81 129.63 6.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -18.31 19.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.3 -21.18 63.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -102.32 -25.04 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.07 -172.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -92.69 148.59 21.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.67 27.45 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -75.83 -176.64 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.624 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -160.92 -172.99 28.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.6 134.71 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.483 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 14.5 p -74.1 -9.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' CA ' HD12 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.431 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.55 170.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 59.6 p -123.83 164.18 30.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -7.3 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -112.93 -57.67 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.1 mmtt -150.84 82.57 5.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.23 18.42 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.6 p -133.31 116.99 14.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -97.94 75.98 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 99' ' ' PHE . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.506 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 89' ' ' PHE . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 39' ' ' LEU . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -99.06 -16.1 18.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER 38.67 30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 119' ' ' SER . 2.7 t 82.33 -51.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.976 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 122.16 -167.77 14.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.24 3.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.6 t 179.48 137.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.2 t -71.08 -59.68 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -117.03 152.63 34.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.956 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.06 137.94 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.2 158.98 9.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -136.35 -63.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -130.14 150.21 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 -50.45 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -79.29 -52.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.03 167.11 27.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.6 m-85 37.22 86.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -175.89 124.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.31 26.93 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 50.55 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -89.34 37.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.8 m120 -53.21 -20.87 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 112.04 24.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.18 139.07 58.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -147.53 147.06 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.9 90.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.09 -65.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -130.23 15.54 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 76.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 33.74 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 151.01 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -115.3 142.42 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 115' ' ' LEU . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.82 167.54 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 6.5 p-10 -45.69 149.86 1.04 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.86 21.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -68.75 -31.63 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -30.05 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.5 -169.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.19 -179.68 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.54 124.22 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 9.84 84.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.17 166.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.64 -144.11 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.82 147.96 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.5 -31.49 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.3 mm-40 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 72' ' ' SER . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 71' ' ' ILE . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.4 128.69 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -84.59 165.45 37.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.02 69.28 5.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.7 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.65 -68.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.601 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 6.3 mmmt -155.5 62.62 3.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 18.2 Cg_endo -74.98 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 82.79 20.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 42.7 p -128.01 125.79 23.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.574 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.08 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 86' ' ' PRO . 1.9 m-85 71.36 73.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 99' ' ' PHE . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.402 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 89' ' ' PHE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.479 ' CD2' HD13 ' A' ' 39' ' ' LEU . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 2.7 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -47.34 84.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 11.5 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 12.1 t 53.72 30.74 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 129.63 -171.66 20.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.03 4.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.47 164.96 26.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -91.87 -58.54 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.86 168.0 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.68 142.06 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 144.78 4.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -128.54 -57.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.971 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -102.12 170.39 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -105.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ttt -133.07 87.52 39.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 0.78 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.87 9.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 51.3 m-85 -116.42 130.2 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 10' ' ' TYR . 6.3 p 50.72 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 57.25 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 62.99 58.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 2.2 mt-30 -91.16 28.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 10.4 m-20 82.72 -5.66 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' CD ' HG21 ' A' ' 38' ' ' ILE . 2.0 ttt180 -121.36 143.81 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 HG23 ' CB ' ' A' ' 114' ' ' ALA . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.33 121.63 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.12 154.59 33.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -88.37 -6.48 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -17.84 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' GLY . 41.1 m-80 -155.48 115.36 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -69.86 64.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . 168.43 -33.07 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -79.98 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 71.1 m-85 -124.26 153.34 41.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD13 ' NH2' ' A' ' 35' ' ' ARG . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NE ' ' SD ' ' A' ' 50' ' ' MET . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 52' ' ' ASN . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.485 HG21 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.05 170.58 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 49.5 m-20 -48.65 139.36 11.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.17 15.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -77.89 -18.54 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -111.12 -16.66 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.01 -171.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 174.85 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.57 -38.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.78 32.75 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 172.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.09 -155.38 6.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.41 144.07 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 50' ' ' MET . 1.9 t -72.99 -32.46 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ILE . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' TYR . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.502 ' CD1' HG23 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.92 131.46 40.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.597 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -89.64 -171.51 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.47 -35.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 40.8 mt-30 -86.15 48.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 72.2 67.0 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.44 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.0 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' THR . 0.1 OUTLIER 73.24 -60.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LYS . 63.5 p -36.23 118.95 0.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.548 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.0 109.79 3.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 70.34 66.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.581 HG23 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' ALA . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' N ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CD1' HD23 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG23 ' CD1' ' A' ' 76' ' ' ILE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 39' ' ' LEU . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p -82.64 -37.03 25.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 122' ' ' GLY . 14.4 mtmt -88.22 15.02 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.0 -30.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -101.29 -147.1 19.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.06 27.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.5 t -95.93 75.91 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 113.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.02 151.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.033 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.94 114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.14 -168.05 14.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.23 140.19 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -165.25 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.73 -82.25 0.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.415 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -169.64 63.33 0.48 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -75.01 165.49 31.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -114.27 101.17 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 63.02 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 178.89 136.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 55.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -51.86 -33.9 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 45.82 62.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 3.7 ttt180 171.43 143.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.522 HG23 ' CE3' ' A' ' 111' ' ' TRP . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -66.64 125.11 24.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.483 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 50.8 t0 -78.55 170.85 15.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 52.9 t30 -108.09 16.45 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 28' ' ' ASN . 11.8 pt-20 -77.65 -40.3 42.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 47.9 m-80 -143.62 18.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.2 63.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 178.67 -42.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 125.16 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 30.9 m-85 -100.18 148.22 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' NH2' ' CE ' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CE2' ' OD1' ' A' ' 52' ' ' ASN . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 115' ' ' LEU . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 37' ' ' PHE . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.563 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -143.68 163.85 32.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CE2' ' A' ' 36' ' ' TYR . 2.6 m-80 -44.45 148.58 0.86 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.93 21.53 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.96 -15.38 59.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -101.28 -32.58 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -109.83 144.42 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.41 -42.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.13 37.76 3.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -96.18 157.69 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.7 -142.77 9.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.3 130.24 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p -67.6 -14.12 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 159.08 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.15 170.48 6.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -5.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -121.01 -60.68 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.544 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.8 mmtt -144.22 82.71 10.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -177.08 3.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 72.44 11.19 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.3 p -125.53 114.79 25.23 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -95.3 75.76 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 99' ' ' PHE . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 93' ' ' ALA . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' N ' ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.473 ' HG ' ' CA ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CE3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 89' ' ' PHE . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 39' ' ' LEU . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -45.73 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -86.35 9.87 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER 86.26 -45.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.21 -164.43 8.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.37 22.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.4 t -153.59 126.9 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -168.54 156.15 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.91 -58.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.82 -73.92 0.47 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t 71.79 -68.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.994 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -164.63 147.17 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.67 -91.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -157.29 67.52 4.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.53 42.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -101.28 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 97.6 t 66.57 10.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' VAL . 30.0 m-20 52.25 100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.19 79.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.46 ' CB ' HG21 ' A' ' 41' ' ' THR . 30.7 mt-30 -51.1 -23.76 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.19 86.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -43.21 130.71 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 114' ' ' ALA . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 -53.35 117.31 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD2' ' CD2' ' A' ' 33' ' ' LEU . 2.8 p30 -94.95 154.87 16.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.24 6.85 47.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.76 -48.61 63.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.45 13.31 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 39.1 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.62 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HE3' ' CD2' ' A' ' 33' ' ' LEU . 13.0 tttt -109.5 144.29 37.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 -114.52 121.57 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' OD2' ' A' ' 25' ' ' ASP . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 114' ' ' ALA . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 HG21 ' CB ' ' A' ' 14' ' ' GLN . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.529 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.15 173.64 11.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.571 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 3.9 m120 -49.18 146.9 5.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' CE2' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.03 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -23.38 58.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -102.26 -28.25 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.4 -169.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.62 178.58 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.74 -40.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.28 15.33 50.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.65 162.71 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.66 -142.05 9.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.12 130.6 23.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 8.8 p -63.92 -17.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.529 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 90' ' ' VAL . . . -63.43 131.21 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 171.4 9.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.34 -15.18 29.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -116.19 -55.88 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 2.0 mmtm -139.82 81.01 19.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.11 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 70.77 -61.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -55.17 117.35 14.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -73.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 -89.19 73.49 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' CB ' HG23 ' A' ' 112' ' ' VAL . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.698 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 37' ' ' PHE . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 89' ' ' PHE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 39' ' ' LEU . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -38.06 28.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 122' ' ' GLY . 13.3 mmtt -89.21 15.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.7 t -39.6 -29.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -132.11 150.23 19.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.15 31.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.7 t -59.59 -53.22 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.055 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -42.57 114.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.5 m -133.32 100.12 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.778 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.73 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 105.42 -139.69 14.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -151.07 100.93 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.77 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -63.81 1.78 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.3 mtp -147.35 92.91 4.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -74.98 -177.09 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.0 m-85 -169.14 175.47 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER 37.54 -155.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 3.7 p30 -79.21 163.03 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.06 63.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.18 -32.04 54.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -177.38 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -82.29 145.57 29.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 110' ' ' ASP . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 16.0 t0 -106.05 168.72 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 16.5 t-20 -90.38 16.99 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -52.46 63.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -144.54 -145.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -127.98 93.1 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.23 32.3 2.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -119.97 138.09 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 -129.0 140.23 51.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 115' ' ' LEU . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' N ' HD11 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.44 174.94 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -45.5 133.05 6.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -8.64 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -18.82 44.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -103.3 -22.37 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.05 -172.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.9 152.43 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -39.41 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.56 36.99 3.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -102.79 176.06 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.45 -173.15 30.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.5 143.44 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 48' ' ' TRP . 27.8 m -66.13 -24.69 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . . . -75.59 134.05 40.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.477 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER -94.6 -178.84 0.86 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.06 -36.72 2.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -15.81 59.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -110.92 -52.03 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 1.1 mmtm -148.15 86.67 5.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -65.35 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' PRO . 44.5 p -55.87 117.11 14.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -56.34 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -102.79 81.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.429 ' SG ' ' OG1' ' A' ' 85' ' ' THR . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CE1' HD12 ' A' ' 100' ' ' LEU . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.654 ' CG2' ' CE1' ' A' ' 99' ' ' PHE . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 71' ' ' ILE . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 39' ' ' LEU . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -76.62 -66.33 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -87.77 -86.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.54 -32.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.3 171.3 5.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 77.6 p -168.19 166.59 12.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 38' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.425 ' C ' HD23 ' A' ' 33' ' ' LEU . 65.5 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.464 0.173 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 33' ' ' LEU . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 36' ' ' TYR . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.674 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.962 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.962 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.65 ' HE1' HG23 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.418 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 47' ' ' LEU . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.782 ' HB3' HG22 ' A' ' 69' ' ' THR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 71' ' ' ILE . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.55 ' CD1' HG21 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.477 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 100' ' ' LEU . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 98' ' ' TYR . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.737 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' CD1' HD21 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 108' ' ' LEU . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 17' ' ' ILE . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.865 HG22 ' CB ' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 21' ' ' LEU . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' CE2' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.557 ' HE2' HD11 ' A' ' 38' ' ' ILE . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 ' HE2' ' A' ' 36' ' ' TYR . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.865 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.788 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HA ' HG23 ' A' ' 63' ' ' VAL . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.8 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.581 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.826 ' HB3' HG22 ' A' ' 69' ' ' THR . 15.7 mm100 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.826 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.803 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.858 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.454 0.168 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 21' ' ' LEU . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.858 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 115' ' ' LEU . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 94' ' ' LEU . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.691 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.831 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.827 ' CE2' HD11 ' A' ' 21' ' ' LEU . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.803 HG21 ' CD1' ' A' ' 76' ' ' ILE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 110' ' ' ASP . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' C ' HD23 ' A' ' 33' ' ' LEU . 20.0 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.486 0.184 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.52 HD11 ' HE2' ' A' ' 36' ' ' TYR . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.674 ' O ' HG12 ' A' ' 63' ' ' VAL . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 48' ' ' TRP . 12.5 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.616 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 112' ' ' VAL . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CB ' HG22 ' A' ' 112' ' ' VAL . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.879 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 100' ' ' LEU . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 100' ' ' LEU . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.569 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.555 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 91' ' ' ILE . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.763 HG22 ' CB ' ' A' ' 39' ' ' LEU . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CE2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 50.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD11 ' CE2' ' A' ' 36' ' ' TYR . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.763 ' CB ' HG22 ' A' ' 17' ' ' ILE . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.681 ' HE1' HG23 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.503 ' HE2' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 118' ' ' ALA . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.688 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' A' ' 115' ' ' LEU . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.593 ' CD1' HG21 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 1.012 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 100' ' ' LEU . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.012 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.617 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.741 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.9 ' CE2' HD11 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.826 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 111' ' ' TRP . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' A' ' 63' ' ' VAL . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' TRP . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.657 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.973 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.492 ' HE3' HD12 ' A' ' 46' ' ' LEU . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.644 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.771 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.472 0.177 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 115' ' ' LEU . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.762 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.575 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.736 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 91' ' ' ILE . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.587 ' NE ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.794 HD11 ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HE ' HG21 ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG23 ' NE ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HB1' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.791 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.584 ' NE1' HG23 ' A' ' 63' ' ' VAL . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE3' HG11 ' A' ' 63' ' ' VAL . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE ' ' A' ' 35' ' ' ARG . 15.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.548 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.5 mm-40 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.705 HG23 ' HD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.705 ' HD1' HG23 ' A' ' 69' ' ' THR . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 115' ' ' LEU . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.468 0.175 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 115' ' ' LEU . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 100' ' ' LEU . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' HG22 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 98' ' ' TYR . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.479 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.794 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.719 ' CD2' HD11 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.776 HG21 ' CD1' ' A' ' 76' ' ' ILE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.707 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.893 HD13 HD11 ' A' ' 91' ' ' ILE . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.48 ' NE ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.524 0.202 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 48' ' ' TRP . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.48 HG23 ' NE ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' CD1' HD23 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.909 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.909 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.551 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 47' ' ' LEU . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.883 ' HB3' HG22 ' A' ' 69' ' ' THR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.612 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 112' ' ' VAL . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.999 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.999 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.654 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.627 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.645 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CD2' HD11 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 76' ' ' ILE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 74' ' ' VAL . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 11.5 ttp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 111' ' ' TRP . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' C ' HD23 ' A' ' 33' ' ' LEU . 76.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.542 0.211 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD2' HG11 ' A' ' 63' ' ' VAL . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 36' ' ' TYR . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 17' ' ' ILE . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.706 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.706 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CD1' HG13 ' A' ' 63' ' ' VAL . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.43 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG13 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' HA ' HD21 ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 HG13 ' A' ' 112' ' ' VAL . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.507 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.598 ' HD1' HD23 ' A' ' 108' ' ' LEU . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.94 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 115' ' ' LEU . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.793 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.718 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CE2' HD11 ' A' ' 21' ' ' LEU . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.821 HG13 HG12 ' A' ' 74' ' ' VAL . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.674 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.661 HD23 HD13 ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.871 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CE2' ' A' ' 49' ' ' TYR . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.765 ' CB ' HG22 ' A' ' 17' ' ' ILE . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 38' ' ' ILE . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.411 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.871 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.9 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.65 ' HB3' HG22 ' A' ' 69' ' ' THR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' A' ' 118' ' ' ALA . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 67' ' ' GLN . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 115' ' ' LEU . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 108' ' ' LEU . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.499 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.631 ' CB ' HG22 ' A' ' 112' ' ' VAL . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' HB2' ' A' ' 77' ' ' ALA . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 115' ' ' LEU . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.635 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.802 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.784 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.666 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 91' ' ' ILE . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.709 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 ' CD1' ' A' ' 111' ' ' TRP . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 16.7 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HE ' HG11 ' A' ' 63' ' ' VAL . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' NH1' ' A' ' 16' ' ' ARG . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.709 ' CB ' HG22 ' A' ' 17' ' ' ILE . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 68' ' ' LEU . 12.8 t-20 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.461 ' HE3' HD12 ' A' ' 46' ' ' LEU . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HA ' HG23 ' A' ' 63' ' ' VAL . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HE ' ' A' ' 35' ' ' ARG . 2.0 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 71' ' ' ILE . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.857 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' ASN . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 108' ' ' LEU . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CB ' HG22 ' A' ' 112' ' ' VAL . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.665 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.882 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.582 ' HB3' HD11 ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.767 ' CD1' HD21 ' A' ' 21' ' ' LEU . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.684 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.508 0.194 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.798 ' HE2' HD11 ' A' ' 38' ' ' ILE . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 36' ' ' TYR . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' CD1' HD23 ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.632 ' HE1' HG23 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CE1' HD12 ' A' ' 38' ' ' ILE . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 63' ' ' VAL . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' HE1' ' A' ' 48' ' ' TRP . 28.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.536 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 71' ' ' ILE . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.808 ' HB3' HG22 ' A' ' 69' ' ' THR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.556 ' HA ' HD21 ' A' ' 94' ' ' LEU . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.761 HD11 HG21 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 1.036 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.54 0.209 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.036 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.776 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' ' 74' ' ' VAL . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.787 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 111' ' ' TRP . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.18 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' A' ' 38' ' ' ILE . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 36' ' ' TYR . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.096 HD13 HD23 ' A' ' 115' ' ' LEU . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.648 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.5 t-20 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.554 ' HB3' HD23 ' A' ' 47' ' ' LEU . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 44' ' ' ASN . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HA ' HD11 ' A' ' 94' ' ' LEU . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.517 HG12 HG13 ' A' ' 112' ' ' VAL . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.945 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.461 0.172 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CB ' HG22 ' A' ' 112' ' ' VAL . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.945 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 115' ' ' LEU . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.649 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.56 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.551 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 76' ' ' ILE . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.69 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.096 HD23 HD13 ' A' ' 39' ' ' LEU . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.627 ' ND2' HG12 ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.771 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 111' ' ' TRP . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 1.018 ' CE2' HD11 ' A' ' 38' ' ' ILE . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.018 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' CD1' HD23 ' A' ' 46' ' ' LEU . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 68' ' ' LEU . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.624 ' HA ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' TYR . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 71' ' ' ILE . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 44' ' ' ASN . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.602 ' HA ' HD11 ' A' ' 94' ' ' LEU . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 115' ' ' LEU . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.475 0.179 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CB ' HG22 ' A' ' 112' ' ' VAL . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.428 HD11 HD13 ' A' ' 115' ' ' LEU . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.646 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 100' ' ' LEU . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 90' ' ' VAL . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.75 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.694 ' HB3' HD11 ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.475 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.546 0.212 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 41' ' ' THR . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.777 ' O ' HG12 ' A' ' 63' ' ' VAL . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 48' ' ' TRP . 13.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 71' ' ' ILE . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' HA ' HD21 ' A' ' 94' ' ' LEU . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 68' ' ' LEU . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 115' ' ' LEU . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.987 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.482 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.987 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 115' ' ' LEU . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.643 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HD13 ' A' ' 108' ' ' LEU . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.828 ' CE2' HD11 ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' N ' HD13 ' A' ' 17' ' ' ILE . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.719 ' HE ' HG11 ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 41' ' ' THR . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 68' ' ' LEU . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.522 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.477 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG11 ' HE ' ' A' ' 35' ' ' ARG . 14.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.512 ' HB2' HD23 ' A' ' 47' ' ' LEU . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 44' ' ' ASN . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 115' ' ' LEU . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.636 HD11 HG21 ' A' ' 112' ' ' VAL . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.934 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CB ' HG22 ' A' ' 112' ' ' VAL . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.934 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CD1' HG22 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.527 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.617 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 108' ' ' LEU . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 39' ' ' LEU . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' C ' HD23 ' A' ' 33' ' ' LEU . 79.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.476 0.179 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.91 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' HG23 ' A' ' 63' ' ' VAL . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.731 ' HA ' HD21 ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 115' ' ' LEU . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HG21 ' A' ' 112' ' ' VAL . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.507 0.194 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.71 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.731 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 100' ' ' LEU . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 76' ' ' ILE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.796 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' CD ' HG23 ' A' ' 38' ' ' ILE . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.69 HD11 ' HB3' ' A' ' 110' ' ' ASP . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' HD23 ' A' ' 33' ' ' LEU . 71.1 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.528 0.204 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD2' HG21 ' A' ' 63' ' ' VAL . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 38' ' ' ILE . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.486 HG23 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.748 HD23 ' HB1' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.829 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.52 ' HE3' HD12 ' A' ' 46' ' ' LEU . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.667 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD13 ' A' ' 71' ' ' ILE . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HA ' HD21 ' A' ' 94' ' ' LEU . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 HD23 ' A' ' 68' ' ' LEU . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.64 HG12 HG13 ' A' ' 112' ' ' VAL . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.512 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.489 0.185 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.673 ' CB ' HG22 ' A' ' 112' ' ' VAL . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 HD13 ' A' ' 115' ' ' LEU . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.9 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CD1' HD21 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 89' ' ' PHE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.735 HD13 HD11 ' A' ' 91' ' ' ILE . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' NE ' HG23 ' A' ' 38' ' ' ILE . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' A' ' 89' ' ' PHE . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.499 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 30.9 m-85 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' NH2' ' HE1' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.497 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.692 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 68' ' ' LEU . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 63' ' ' VAL . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.527 ' HE1' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 47' ' ' LEU . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 69' ' ' THR . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 71' ' ' ILE . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 67' ' ' GLN . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HA ' HD21 ' A' ' 94' ' ' LEU . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 HD23 ' A' ' 68' ' ' LEU . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.696 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.651 ' CD1' HG21 ' A' ' 112' ' ' VAL . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.968 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.968 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 115' ' ' LEU . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 70' ' ' TYR . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.653 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.798 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 108' ' ' LEU . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.577 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' A' ' 110' ' ' ASP . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 111' ' ' TRP . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.548 0.213 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 HH22 ' A' ' 35' ' ' ARG . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.703 ' HG2' HG11 ' A' ' 63' ' ' VAL . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 36' ' ' TYR . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 17' ' ' ILE . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' HD12 ' A' ' 68' ' ' LEU . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.732 ' N ' HD13 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.563 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE3' HG21 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' HG2' ' A' ' 35' ' ' ARG . 8.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 71' ' ' ILE . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.645 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.799 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 100' ' ' LEU . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 91' ' ' ILE . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.779 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.672 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.75 ' HB3' HD11 ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.615 ' CD2' HD11 ' A' ' 21' ' ' LEU . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 76' ' ' ILE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.799 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 38' ' ' ILE . 5.2 ttt-85 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.662 HG22 ' HB3' ' A' ' 39' ' ' LEU . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 38' ' ' ILE . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' ILE . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.817 ' HA ' HD12 ' A' ' 68' ' ' LEU . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.626 ' HE1' HG23 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.636 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' ASN . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 67' ' ' GLN . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 69' ' ' THR . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.665 ' CD1' HG21 ' A' ' 112' ' ' VAL . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.788 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.479 0.18 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.878 HD11 HD13 ' A' ' 115' ' ' LEU . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.639 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.949 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 21' ' ' LEU . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 91' ' ' ILE . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.61 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.93 118.96 36.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 142.25 15.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.09 167.35 13.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.4 145.83 51.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.16 -74.96 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mtt -156.45 92.77 2.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.11 2.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -144.47 171.95 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.7 t 66.88 152.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 13' ' ' ARG . 13.0 t70 -178.84 170.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER 64.17 57.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -40.92 -35.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 64.73 128.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 38' ' ' ILE . 1.9 ttt-85 -65.18 146.5 54.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.22 107.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 63.8 t0 -46.93 127.53 10.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.0 -15.38 43.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.65 47.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 168.91 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.95 79.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.067 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 150.42 -38.26 0.89 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.63 132.76 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 65.5 m-85 -112.32 145.71 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 36' ' ' TYR . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.674 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.962 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.962 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.65 ' HE1' HG23 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.31 171.35 18.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -40.91 138.67 1.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -18.91 53.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.34 -22.76 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.47 -171.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -108.38 145.08 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -45.3 -36.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.65 34.35 3.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -101.53 179.06 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.25 -167.91 19.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -111.94 144.4 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.4 m -67.58 -21.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 47' ' ' LEU . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.782 ' HB3' HG22 ' A' ' 69' ' ' THR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 71' ' ' ILE . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.55 ' CD1' HG21 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -52.54 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 5.2 p -137.89 164.89 37.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.3 Cg_endo -74.95 -0.1 9.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.81 -8.89 20.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -112.78 -53.73 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.5 mmtt -152.21 81.09 5.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.99 -170.87 0.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 67.22 18.12 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 p -138.27 116.32 9.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -95.52 75.95 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 100' ' ' LEU . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 98' ' ' TYR . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.737 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' CD1' HD21 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 108' ' ' LEU . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 17' ' ' ILE . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 p -82.51 -41.83 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.2 32.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.5 m 39.23 33.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.2 -147.46 30.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.72 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.7 m -155.69 168.42 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.9 p -86.95 141.07 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 171.34 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -119.99 170.01 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.58 10.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -156.59 172.7 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -124.16 -54.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.14 -84.05 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -148.07 71.42 11.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -176.84 3.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' CG1' ' A' ' 11' ' ' VAL . 64.0 m-85 -118.41 166.74 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' CG ' ' A' ' 14' ' ' GLN . 1.5 p 40.9 90.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -68.49 141.03 55.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 43.93 61.88 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.3 mt-30 -45.2 -35.35 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 83.64 -8.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 6.8 ttt180 160.37 145.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.865 HG22 ' CB ' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 21' ' ' LEU . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' CE2' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 -72.96 113.23 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -90.39 151.27 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.99 0.48 27.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -134.73 17.19 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.06 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.52 -45.6 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -80.9 150.09 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 -115.62 143.11 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.557 ' HE2' HD11 ' A' ' 38' ' ' ILE . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 ' HE2' ' A' ' 36' ' ' TYR . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.865 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.788 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HA ' HG23 ' A' ' 63' ' ' VAL . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 -150.79 161.2 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 7.3 m120 -42.26 148.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.43 10.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.42 -11.62 35.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.72 -32.93 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.19 -169.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.76 175.07 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.97 -50.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.2 44.12 3.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.72 161.66 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.81 -143.42 7.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.03 146.51 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.8 t -70.6 -32.32 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.581 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.826 ' HB3' HG22 ' A' ' 69' ' ' THR . 15.7 mm100 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.826 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.803 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.858 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -57.25 177.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -136.87 169.23 13.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.4 ' HA ' ' CA ' ' A' ' 83' ' ' PRO . 18.1 Cg_endo -75.05 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -94.44 -17.98 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.86 -48.33 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.2 mmtm -147.11 80.64 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' CA ' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 74.84 22.33 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.3 p -138.79 113.78 8.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -93.43 75.94 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 21' ' ' LEU . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.858 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 115' ' ' LEU . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 94' ' ' LEU . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' CE ' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.691 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.831 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.827 ' CE2' HD11 ' A' ' 21' ' ' LEU . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.803 HG21 ' CD1' ' A' ' 76' ' ' ILE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -90.26 -3.41 57.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 38.5 82.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -53.92 -21.08 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -152.31 163.49 30.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.19 3.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.4 t -127.77 136.61 51.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t -134.13 107.11 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 64.08 -78.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 29.3 t -73.3 -57.81 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -128.93 6.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -117.72 137.62 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -177.0 135.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.94 -69.35 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -174.19 63.93 0.27 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -74.99 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.567 1.825 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' VAL . 1.0 OUTLIER -130.58 -145.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' TYR . 5.1 p -38.41 113.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.41 -173.06 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -89.15 22.63 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -36.61 -36.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.44 127.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 -78.95 144.92 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 110' ' ' ASP . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 138.49 43.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 26' ' ' ASN . 19.6 t70 -116.57 168.58 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 25' ' ' ASP . 62.6 t30 -89.36 15.89 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -62.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -136.93 18.67 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.39 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.95 -18.83 1.96 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 141.66 33.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' C ' HD23 ' A' ' 33' ' ' LEU . 20.0 m-85 -103.93 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.52 HD11 ' HE2' ' A' ' 36' ' ' TYR . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.674 ' O ' HG12 ' A' ' 63' ' ' VAL . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.4 169.21 18.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -45.65 148.91 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.95 -15.43 20.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.31 -22.56 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -93.26 -34.44 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.27 -169.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.04 177.65 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.8 t -82.69 123.65 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.99 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.67 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.62 -136.13 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.9 135.03 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 48' ' ' TRP . 12.5 p -65.15 -12.76 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.616 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 112' ' ' VAL . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -67.47 169.14 9.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.15 174.48 4.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' HA ' ' CA ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.98 -28.95 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -66.93 -23.36 65.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 2.9 mt-30 -101.37 -52.42 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 3.4 mmtm -149.24 86.69 5.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' CA ' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -74.99 178.23 7.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mttp 75.23 12.63 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 p -136.83 112.37 9.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -101.78 77.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CB ' HG22 ' A' ' 112' ' ' VAL . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.879 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 100' ' ' LEU . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 100' ' ' LEU . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.569 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.555 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 91' ' ' ILE . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -77.92 -53.69 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.86 -10.17 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 2.2 t -105.88 30.68 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.71 -146.72 4.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.23 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.8 p -158.98 -57.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 m 43.01 86.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -123.57 -57.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.11 132.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.59 -158.0 51.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.84 138.05 38.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -41.65 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 -86.24 0.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 2.1 ttt -74.99 -51.95 3.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -74.99 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -136.31 174.6 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 t 60.81 162.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.48 20.17 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 55.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -93.79 33.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 2.7 p30 -125.37 -149.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -39.58 110.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.763 HG22 ' CB ' ' A' ' 39' ' ' LEU . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CE2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 14.7 tt0 -76.73 130.72 38.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.868 ' HB2' HD21 ' A' ' 33' ' ' LEU . 13.0 t0 -76.57 151.35 36.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.7 -30.62 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 1.3 mt-10 -100.3 75.88 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 7.5 m-20 169.64 150.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.9 p -80.32 69.4 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.42 72.98 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 13.0 tttt -125.94 127.01 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 50.0 m-85 -98.83 124.28 43.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD11 ' CE2' ' A' ' 36' ' ' TYR . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.763 ' CB ' HG22 ' A' ' 17' ' ' ILE . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.681 ' HE1' HG23 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HE2' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -153.38 170.11 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 8.2 p-10 -50.68 148.86 6.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.43 19.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.773 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -81.94 -10.99 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -18.28 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.5 -172.33 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.96 175.89 5.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.63 -51.53 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.79 44.21 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.16 178.14 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.44 -162.1 10.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -118.31 147.28 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.3 m -66.94 -24.41 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 118' ' ' ALA . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.688 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' A' ' 115' ' ' LEU . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.593 ' CD1' HG21 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.012 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -64.61 132.6 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -92.18 170.83 8.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.43 8.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -12.17 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.72 -52.48 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -149.02 82.92 6.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.04 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.65 14.45 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 83' ' ' PRO . 71.8 p -129.8 114.38 17.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -99.86 75.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 100' ' ' LEU . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.012 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.617 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.741 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.9 ' CE2' HD11 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.826 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.76 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -85.78 7.88 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 3.9 m 58.92 30.02 19.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.91 -171.59 16.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -33.92 4.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -178.87 125.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.89 125.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -68.9 151.01 47.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.7 110.32 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.0 122.85 6.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -55.97 109.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -111.4 126.95 55.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.81 92.81 1.8 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 mtm 48.44 90.16 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -124.97 150.08 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.6 t 63.78 70.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 167.93 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.91 56.98 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -102.6 35.69 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -81.3 77.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.94 105.09 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 111' ' ' TRP . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.96 136.71 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -123.46 173.5 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -89.3 18.29 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -78.75 82.65 4.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.2 m120 84.88 8.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 47.36 98.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.46 25.83 3.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.39 120.73 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.76 140.83 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' A' ' 63' ' ' VAL . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.657 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.973 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.492 ' HE3' HD12 ' A' ' 46' ' ' LEU . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.21 169.24 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.555 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 1.2 m120 -47.99 142.37 7.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -9.9 20.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.67 -14.56 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 49.4 mt -77.7 -173.89 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.33 173.05 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.4 p -68.02 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.3 28.92 6.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.24 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.16 -160.24 8.38 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.3 148.14 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.8 t -72.64 -32.13 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.644 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.771 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -40.09 125.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -73.68 160.19 82.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 69.35 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -177.38 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' OE1' ' CD ' ' A' ' 97' ' ' ARG . 3.1 mt-30 -77.01 -51.65 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.2 mmmt -148.52 72.4 10.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 -177.57 3.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 85.22 -50.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 36.6 p -66.12 130.32 94.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 -72.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -98.75 80.43 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 115' ' ' LEU . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' CD ' ' OE1' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.762 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.575 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.736 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 91' ' ' ILE . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' SER . 0.2 OUTLIER -88.41 -20.51 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 38.93 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' SER . 41.0 t 41.51 35.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.98 159.79 26.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 53.97 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p 43.0 77.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.9 p -70.7 -59.53 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 53.88 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.05 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p 56.44 164.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -68.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -90.93 106.48 18.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -58.87 -58.65 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.82 -58.56 3.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.23 90.84 0.94 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -164.07 174.85 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.51 132.3 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -92.42 -165.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 45.89 62.55 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' ASN . 5.3 mt-30 -41.93 -34.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' GLN . 16.7 m-80 61.71 124.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.587 ' NE ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 -77.52 148.74 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.794 HD11 ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.11 123.79 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -102.03 170.04 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.88 8.55 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.85 -54.1 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -149.33 -146.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -121.55 87.89 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.91 40.15 1.22 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.56 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -120.04 129.12 54.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HE ' HG21 ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG23 ' NE ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HB1' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.791 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.584 ' NE1' HG23 ' A' ' 63' ' ' VAL . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE3' HG11 ' A' ' 63' ' ' VAL . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.78 169.78 21.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -43.94 144.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -22.01 15.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -70.06 -10.48 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -107.81 -27.95 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.7 -172.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.92 156.1 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' H ' HG12 ' A' ' 58' ' ' VAL . 1.2 p -53.37 -39.66 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.17 35.13 3.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -100.49 177.03 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 0.733 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 -167.45 17.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -113.45 144.66 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE ' ' A' ' 35' ' ' ARG . 15.8 m -67.63 -24.21 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.548 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.5 mm-40 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.705 HG23 ' HD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.705 ' HD1' HG23 ' A' ' 69' ' ' THR . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 115' ' ' LEU . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -40.24 122.66 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -70.76 160.73 81.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.32 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -177.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.51 -63.7 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 16.2 mmmt -146.67 71.77 12.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 9.7 mttp 80.81 26.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -132.22 114.41 14.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -75.04 105.81 2.15 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 72.11 73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 115' ' ' LEU . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 100' ' ' LEU . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' HG22 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 98' ' ' TYR . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.479 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.794 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.719 ' CD2' HD11 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.776 HG21 ' CD1' ' A' ' 76' ' ' ILE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.707 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.893 HD13 HD11 ' A' ' 91' ' ' ILE . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p -73.45 -47.24 43.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -70.41 -7.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 70.73 -59.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.36 153.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.85 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 160.58 34.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 40.7 p -47.67 106.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -76.29 151.63 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.37 -62.72 0.32 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.73 153.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -161.61 163.84 29.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 57.57 4.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 38.74 86.82 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' C ' HG12 ' A' ' 11' ' ' VAL . 4.7 t80 -176.89 165.05 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 10' ' ' TYR . 2.4 p 41.64 90.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.51 126.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.85 58.28 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -21.18 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.59 -16.31 60.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' NE ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 168.69 120.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 -73.47 121.05 19.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.12 169.78 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -89.16 14.8 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -58.1 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -142.01 19.32 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.9 85.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.48 1.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.86 138.1 31.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 -107.59 131.93 53.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 52' ' ' ASN . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 48' ' ' TRP . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.48 HG23 ' NE ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' CD1' HD23 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.909 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.909 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.551 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.36 158.0 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 36' ' ' TYR . 30.8 m-80 -40.61 149.52 0.32 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.34 18.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -21.09 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -96.94 -32.6 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.37 -171.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -101.45 146.32 27.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 p -45.24 -45.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.73 38.0 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -92.37 159.89 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -118.72 -143.86 7.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.71 131.92 40.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p -68.54 -21.34 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 47' ' ' LEU . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.883 ' HB3' HG22 ' A' ' 69' ' ' THR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.612 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 112' ' ' VAL . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.999 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -59.2 166.35 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -127.66 171.66 7.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.9 -9.86 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -116.25 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -143.23 84.29 10.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 178.45 7.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.1 OUTLIER 82.18 -4.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.5 p -114.03 116.43 44.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -92.19 74.53 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.999 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.654 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.627 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.645 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CD2' HD11 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 76' ' ' ILE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 74' ' ' VAL . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' LYS . 12.4 p -96.53 -14.24 22.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 36.58 81.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.3 t -89.98 19.77 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.43 42.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.24 3.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.8 p -72.76 136.02 45.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 m -169.37 162.21 10.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -176.22 124.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -137.73 115.46 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 -172.14 14.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -156.76 166.81 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.063 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -69.38 -57.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.62 99.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mtm 39.82 87.35 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.52 172.99 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.4 t -56.19 122.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.44 150.53 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.6 58.79 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -44.76 -33.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 61.99 94.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 11.5 ttp180 61.42 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 111' ' ' TRP . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.32 125.57 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 32.2 t0 -62.75 140.64 58.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.33 -27.7 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.83 49.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 167.24 130.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -104.36 78.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.89 -45.84 0.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 149.48 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' C ' HD23 ' A' ' 33' ' ' LEU . 76.4 m-85 -119.71 155.25 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD2' HG11 ' A' ' 63' ' ' VAL . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 36' ' ' TYR . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 17' ' ' ILE . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.706 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.706 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CD1' HG13 ' A' ' 63' ' ' VAL . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.43 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.38 163.28 34.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 4.3 m-20 -43.7 144.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.16 20.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -79.42 -14.59 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.79 -28.32 11.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.05 -169.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 174.97 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.48 -50.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.89 42.95 3.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.87 168.13 14.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.42 -150.77 8.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.93 132.43 42.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG13 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p -69.83 -10.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' HA ' HD21 ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 HG13 ' A' ' 112' ' ' VAL . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.507 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -57.7 -178.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -138.46 168.88 14.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.07 -7.87 19.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -9.96 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -116.74 -63.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -139.63 83.64 16.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -75.0 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.85 20.43 10.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.0 p -141.96 110.03 6.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.43 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 -105.95 71.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.598 ' HD1' HD23 ' A' ' 108' ' ' LEU . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.94 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 115' ' ' LEU . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.793 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.718 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CE2' HD11 ' A' ' 21' ' ' LEU . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.821 HG13 HG12 ' A' ' 74' ' ' VAL . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.674 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.661 HD23 HD13 ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' O ' ' CD ' ' A' ' 120' ' ' LYS . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -129.47 1.91 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 117' ' ' GLN . 1.3 mppt? 33.18 75.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.2 m -140.57 17.39 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -133.6 159.91 23.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -32.51 5.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 m 64.83 168.18 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -131.45 81.47 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.75 164.22 36.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -51.81 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.86 -124.48 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.93 120.52 3.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 p -57.22 170.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.18 -45.91 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.478 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -39.58 -52.05 4.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 -171.4 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -84.12 80.0 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG23 HH11 ' A' ' 13' ' ' ARG . 6.9 p -175.35 128.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -157.17 26.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 HG23 ' A' ' 11' ' ' VAL . 2.4 mpp_? -72.98 58.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -91.61 17.6 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 53.91 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -119.82 144.49 47.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.92 135.66 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -117.25 168.93 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -82.34 0.1 43.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.05 -46.61 22.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -149.12 -146.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 m -133.38 93.44 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.991 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.88 20.78 6.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.18 140.52 49.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -119.82 158.34 26.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.871 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CE2' ' A' ' 49' ' ' TYR . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.765 ' CB ' HG22 ' A' ' 17' ' ' ILE . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 38' ' ' ILE . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.411 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.73 163.64 32.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -42.21 148.23 0.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 18.1 Cg_endo -75.0 -16.29 20.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -93.88 -31.55 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.59 -166.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.59 174.5 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.14 -50.16 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.91 31.93 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 158.68 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.5 -138.95 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.44 145.09 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.871 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.9 t -72.29 -33.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.65 ' HB3' HG22 ' A' ' 69' ' ' THR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' A' ' 118' ' ' ALA . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 67' ' ' GLN . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 115' ' ' LEU . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 108' ' ' LEU . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -72.6 148.28 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.23 173.37 2.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.03 1.12 8.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.35 -2.92 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 mt-30 -120.93 -58.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.518 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 2.9 mmtm -148.59 81.49 7.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 90.47 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 88' ' ' CYS . 10.0 t -133.2 136.28 27.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.98 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 -83.34 80.42 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.189 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.576 ' HB3' HG23 ' A' ' 85' ' ' THR . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.631 ' CB ' HG22 ' A' ' 112' ' ' VAL . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' HB2' ' A' ' 77' ' ' ALA . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 115' ' ' LEU . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.635 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.574 ' HG3' HG21 ' A' ' 85' ' ' THR . 0.0 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.802 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.784 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.666 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 91' ' ' ILE . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -61.27 -44.31 97.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -81.45 0.85 35.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 m -121.05 31.12 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.02 -145.09 13.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.74 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.93 -55.6 28.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.14 -55.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.09 126.18 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -176.19 117.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 96.96 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -146.82 146.51 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.82 174.35 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -73.35 0.66 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.9 mtp -78.03 -51.47 1.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -75.03 156.67 42.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -151.46 176.76 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.8 t 62.0 121.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 121.39 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -80.6 57.9 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.29 34.37 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 41' ' ' THR . 64.8 m-80 -69.33 71.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.709 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 ' CD1' ' A' ' 111' ' ' TRP . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -81.73 127.13 32.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -104.52 170.61 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -88.85 13.99 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.84 -53.69 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -144.05 -146.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.42 94.25 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.43 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.59 146.84 49.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 16.7 m-85 -128.62 155.81 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HE ' HG11 ' A' ' 63' ' ' VAL . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' NH1' ' A' ' 16' ' ' ARG . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.709 ' CB ' HG22 ' A' ' 17' ' ' ILE . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 68' ' ' LEU . 12.8 t-20 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.461 ' HE3' HD12 ' A' ' 46' ' ' LEU . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HA ' HG23 ' A' ' 63' ' ' VAL . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.435 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.72 167.74 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -42.75 137.62 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.65 16.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -11.2 60.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -108.61 -22.14 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.18 -172.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -115.28 153.59 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 59' ' ' GLY . 3.1 p -48.67 -56.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.526 ' H ' HG13 ' A' ' 58' ' ' VAL . . . -49.86 -25.65 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -58.22 175.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -150.52 -153.13 6.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.37 148.69 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HE ' ' A' ' 35' ' ' ARG . 2.0 t -68.46 -30.69 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 71' ' ' ILE . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.857 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' ASN . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 108' ' ' LEU . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -67.88 152.66 45.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 6.8 p -105.51 168.94 7.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.4 Cg_endo -74.97 -28.17 9.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.443 1.759 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.16 -13.78 62.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 25.5 mt-30 -106.37 -53.16 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 4.2 mmtm -151.08 84.22 5.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.82 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.72 4.48 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 101' ' ' GLN . 37.9 p -129.73 111.36 17.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -74.98 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -106.51 76.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CB ' HG22 ' A' ' 112' ' ' VAL . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.665 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' CD ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.882 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.582 ' HB3' HD11 ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.767 ' CD1' HD21 ' A' ' 21' ' ' LEU . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.684 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -1.69 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.25 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -87.58 35.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 146.35 176.56 20.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.71 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -75.18 123.21 24.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.5 t -168.72 98.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -141.97 150.52 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -170.84 147.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.53 76.66 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 145.17 30.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -72.33 108.17 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.78 2.55 33.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.642 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 3.5 ttp -68.22 -41.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.06 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 9' ' ' PRO . 58.8 m-85 -153.96 -173.09 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 11' ' ' VAL . 4.0 p -55.2 118.4 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 178.43 143.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.36 56.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -104.28 35.61 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 41' ' ' THR . 77.5 m-20 -66.49 -12.07 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.46 110.92 6.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 -62.81 116.08 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 54.8 t0 -80.08 140.26 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -64.72 -13.4 54.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.97 -41.38 97.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 70.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.0 -36.84 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -100.04 140.89 33.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 -107.36 149.9 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.798 ' HE2' HD11 ' A' ' 38' ' ' ILE . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 36' ' ' TYR . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' CD1' HD23 ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 15' ' ' ASN . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.632 ' HE1' HG23 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CE1' HD12 ' A' ' 38' ' ' ILE . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 63' ' ' VAL . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.55 166.41 32.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 2.8 m120 -46.71 148.2 1.87 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.07 19.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -80.26 -14.15 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -106.74 -28.84 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.61 -170.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.69 171.97 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.49 -49.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.51 43.49 3.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.41 -177.15 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -164.17 12.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 143.08 45.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' HE1' ' A' ' 48' ' ' TRP . 28.4 m -68.7 -17.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.536 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 71' ' ' ILE . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.808 ' HB3' HG22 ' A' ' 69' ' ' THR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.556 ' HA ' HD21 ' A' ' 94' ' ' LEU . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.761 HD11 HG21 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.036 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -55.49 126.0 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -85.85 170.58 12.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -14.11 25.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.75 -53.27 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 11.7 mmmt -145.22 81.55 10.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.4 2.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 75.71 -57.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -57.35 119.54 32.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -92.04 75.48 5.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.036 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.776 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' ' 74' ' ' VAL . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -59.58 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -14.65 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' GLY . 75.2 m 39.12 37.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . . . -37.32 156.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.32 12.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 t -124.33 -58.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.4 p -40.77 125.47 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.07 -60.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -39.89 129.87 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 167.96 17.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -104.44 157.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -70.18 111.87 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -122.1 97.18 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.19 -52.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 148.34 35.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' VAL . 0.5 OUTLIER 56.91 159.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.3 p 40.37 90.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -176.49 174.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -86.77 58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -90.96 27.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 41' ' ' THR . 0.7 OUTLIER -170.12 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 -71.26 121.92 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.787 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 111' ' ' TRP . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.19 121.02 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 27.9 t70 -101.39 170.78 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -89.17 8.21 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' OD2' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -53.14 -50.23 64.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -142.58 -146.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -135.62 97.68 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 18.02 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.92 143.32 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 -122.33 155.73 35.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' A' ' 38' ' ' ILE . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 36' ' ' TYR . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.096 HD13 HD23 ' A' ' 115' ' ' LEU . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 15' ' ' ASN . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.648 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.5 t-20 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.14 158.32 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 7.1 m120 -42.2 149.85 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -19.64 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -15.53 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -103.4 -30.66 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.11 -169.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.25 176.22 6.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.03 -49.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.32 3.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.94 165.74 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.99 -149.45 9.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -135.2 132.03 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p -65.48 -15.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.554 ' HB3' HD23 ' A' ' 47' ' ' LEU . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 44' ' ' ASN . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HA ' HD11 ' A' ' 94' ' ' LEU . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.517 HG12 HG13 ' A' ' 112' ' ' VAL . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.945 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -68.08 129.15 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -85.3 171.18 11.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.65 12.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -10.65 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -113.45 -53.53 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' ' OG1' ' A' ' 85' ' ' THR . 7.2 mmtt -146.71 82.33 8.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.07 175.93 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 1.0 OUTLIER 82.1 -3.83 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 12.0 p -118.28 113.71 36.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -94.2 76.95 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CB ' HG22 ' A' ' 112' ' ' VAL . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.945 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 115' ' ' LEU . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.649 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.56 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.551 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 76' ' ' ILE . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.69 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.096 HD23 HD13 ' A' ' 39' ' ' LEU . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.627 ' ND2' HG12 ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.771 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.86 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -1.74 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 24.9 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.05 -145.44 18.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.44 3.62 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.9 p -152.5 110.65 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.9 p -161.69 169.7 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -120.49 -58.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 81.21 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.94 120.84 2.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.33 133.58 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -151.43 -53.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.964 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.2 66.38 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.87 87.68 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -130.84 41.48 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.57 151.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 173.68 173.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -80.94 65.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -91.39 33.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.66 -145.45 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 -165.44 119.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 111' ' ' TRP . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.34 118.61 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.6 p-10 -75.41 143.49 42.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -79.68 -12.68 59.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -10.76 59.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' GLY . 11.5 m-80 -167.51 100.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.08 70.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . -179.41 -39.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -98.16 151.46 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.08 142.23 50.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 1.018 ' CE2' HD11 ' A' ' 38' ' ' ILE . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.018 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' CD1' HD23 ' A' ' 46' ' ' LEU . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 68' ' ' LEU . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.624 ' HA ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' TYR . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -147.63 171.81 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 7.7 m120 -46.81 142.13 5.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.97 11.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -106.54 -24.99 12.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.88 -171.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.31 177.67 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.3 p -76.87 -39.65 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.43 28.66 6.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.96 -177.28 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.41 -162.97 11.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -113.17 150.41 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t -70.61 -30.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 71' ' ' ILE . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 44' ' ' ASN . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.602 ' HA ' HD11 ' A' ' 94' ' ' LEU . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 115' ' ' LEU . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -62.26 130.37 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.3 p -76.42 158.68 81.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.66 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -172.98 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 7.8 mmtt -149.83 73.62 9.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.94 15.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 80.52 27.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.7 p -133.66 110.19 12.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.579 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -74.97 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.006 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 72.64 69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CB ' HG22 ' A' ' 112' ' ' VAL . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.428 HD11 HD13 ' A' ' 115' ' ' LEU . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.646 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 100' ' ' LEU . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 90' ' ' VAL . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.75 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.694 ' HB3' HD11 ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.475 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' LYS . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -87.51 12.14 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.5 t -39.65 -34.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.61 155.26 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.2 m -46.16 -54.69 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -114.43 145.11 42.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m 61.25 164.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.22 81.26 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -166.59 82.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 60.66 150.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.09 -79.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.65 65.65 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.22 33.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 54.46 166.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.12 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.69 161.21 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.05 58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -46.9 -33.24 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.12 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 103.01 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 -68.55 123.84 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.57 135.25 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -15.14 33.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -144.05 102.69 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 69.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.97 -41.63 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 158.52 16.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 -127.92 136.69 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.646 ' CE1' ' ND2' ' A' ' 52' ' ' ASN . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 41' ' ' THR . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.777 ' O ' HG12 ' A' ' 63' ' ' VAL . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 -153.8 162.84 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.646 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 7.8 m120 -41.29 147.67 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.95 19.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -64.83 -23.36 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -97.48 -29.5 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -71.21 -168.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.83 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.9 -52.11 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.13 7.14 64.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.74 150.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.46 -135.59 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.16 133.72 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 48' ' ' TRP . 13.4 p -67.81 -13.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 71' ' ' ILE . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' HA ' HD21 ' A' ' 94' ' ' LEU . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 68' ' ' LEU . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 115' ' ' LEU . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.987 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -70.48 140.1 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -101.35 171.6 5.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.8 14.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -10.99 43.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -116.96 -59.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 9.4 mmtt -141.67 82.97 13.48 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 66.67 20.58 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 24.5 p -135.38 115.19 11.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -87.8 74.08 9.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.987 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 115' ' ' LEU . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.643 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HD13 ' A' ' 108' ' ' LEU . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.828 ' CE2' HD11 ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 121' ' ' SER . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -40.64 61.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 122' ' ' GLY . 0.1 OUTLIER -76.62 -2.11 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 117' ' ' GLN . 31.8 t -43.56 -27.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 120' ' ' LYS . . . -146.11 155.74 26.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.18 84.35 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.6 p 43.2 77.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m 62.28 114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -134.78 162.07 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.58 -129.21 5.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -130.11 155.67 45.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 178.17 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.97 -63.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.23 65.87 2.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG3' ' CB ' ' A' ' 6' ' ' SER . 18.2 Cg_endo -75.0 154.74 42.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.08 162.86 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 78.5 t 64.35 57.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p30 178.46 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.04 56.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 1.9 pm0 -41.14 -32.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 90.3 m-20 56.26 96.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.83 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' N ' HD13 ' A' ' 17' ' ' ILE . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -59.32 131.86 52.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 38.8 t70 -113.15 171.51 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASN . 50.1 t-20 -82.22 4.84 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 2.4 mm-40 -65.65 72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 6.7 m-20 84.82 17.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ASN . 26.0 m 38.51 85.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.3 -36.26 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 126.43 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 -95.94 147.14 23.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.719 ' HE ' HG11 ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 41' ' ' THR . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 68' ' ' LEU . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.522 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.477 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.57 176.91 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -45.81 129.63 6.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.6 Cg_endo -74.9 -18.31 19.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.3 -21.18 63.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -102.32 -25.04 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 15.8 mt -63.07 -172.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -92.69 148.59 21.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.67 27.45 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -75.83 -176.64 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.624 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -160.92 -172.99 28.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -97.6 134.71 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG11 ' HE ' ' A' ' 35' ' ' ARG . 14.5 p -74.1 -9.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.512 ' HB2' HD23 ' A' ' 47' ' ' LEU . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 44' ' ' ASN . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 115' ' ' LEU . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.636 HD11 HG21 ' A' ' 112' ' ' VAL . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.934 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -51.55 170.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 59.6 p -123.83 164.18 30.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -7.3 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -112.93 -57.67 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.1 mmtt -150.84 82.57 5.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.23 18.42 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 83' ' ' PRO . 71.6 p -133.31 116.99 14.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -97.94 75.98 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CB ' HG22 ' A' ' 112' ' ' VAL . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.934 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CD1' HG22 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.617 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 108' ' ' LEU . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -99.06 -16.1 18.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER 38.67 30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 119' ' ' SER . 2.7 t 82.33 -51.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.976 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 122.16 -167.77 14.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.24 3.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.6 t 179.48 137.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.2 t -71.08 -59.68 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -117.03 152.63 34.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.956 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.06 137.94 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.2 158.98 9.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -136.35 -63.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -130.14 150.21 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 -50.45 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -79.29 -52.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.03 167.11 27.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.6 m-85 37.22 86.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -175.89 124.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.31 26.93 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 50.55 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -89.34 37.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.927 ' HB3' HG21 ' A' ' 41' ' ' THR . 14.8 m120 -53.21 -20.87 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 112.04 24.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 39' ' ' LEU . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.18 139.07 58.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -147.53 147.06 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.9 90.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.09 -65.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -130.23 15.54 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 76.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 33.74 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 151.01 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' C ' HD23 ' A' ' 33' ' ' LEU . 79.0 m-85 -115.3 142.42 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.91 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.927 HG21 ' HB3' ' A' ' 15' ' ' ASN . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' HG23 ' A' ' 63' ' ' VAL . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.82 167.54 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 6.5 p-10 -45.69 149.86 1.04 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.86 21.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -68.75 -31.63 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -30.05 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.5 -169.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.19 -179.68 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.54 124.22 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 9.84 84.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.17 166.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.64 -144.11 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.82 147.96 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t -71.5 -31.49 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.731 ' HA ' HD21 ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 115' ' ' LEU . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HG21 ' A' ' 112' ' ' VAL . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -41.4 128.69 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 1.5 p -84.59 165.45 37.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.02 69.28 5.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.7 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.65 -68.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 6.3 mmmt -155.5 62.62 3.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -74.98 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 82.79 20.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 42.7 p -128.01 125.79 23.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.574 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.08 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 86' ' ' PRO . 1.9 m-85 71.36 73.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.71 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 100' ' ' LEU . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 76' ' ' ILE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.796 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 7.5 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -47.34 84.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 11.5 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 12.1 t 53.72 30.74 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 129.63 -171.66 20.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.03 4.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.47 164.96 26.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -91.87 -58.54 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.86 168.0 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.68 142.06 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 144.78 4.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -128.54 -57.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.971 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -102.12 170.39 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -105.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ttt -133.07 87.52 39.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 0.78 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.87 9.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.753 ' O ' HG12 ' A' ' 11' ' ' VAL . 51.3 m-85 -116.42 130.2 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 10' ' ' TYR . 6.3 p 50.72 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 11' ' ' VAL . 78.2 m-20 57.25 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 62.99 58.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 2.2 mt-30 -91.16 28.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 4.0 m120 82.72 -5.66 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' CD ' HG23 ' A' ' 38' ' ' ILE . 2.0 ttt180 -121.36 143.81 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.69 HD11 ' HB3' ' A' ' 110' ' ' ASP . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.33 121.63 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.12 154.59 33.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -88.37 -6.48 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -17.84 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' GLY . 41.1 m-80 -155.48 115.36 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -69.86 64.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . 168.43 -33.07 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -79.98 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' HD23 ' A' ' 33' ' ' LEU . 71.1 m-85 -124.26 153.34 41.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD2' HG21 ' A' ' 63' ' ' VAL . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.742 ' CE1' ' ND2' ' A' ' 52' ' ' ASN . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.486 HG23 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.748 HD23 ' HB1' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.829 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.52 ' HE3' HD12 ' A' ' 46' ' ' LEU . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.667 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.05 170.58 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.742 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 13.8 m120 -48.65 139.36 11.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.99 -4.17 15.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -77.89 -18.54 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -111.12 -16.66 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 81.1 mt -71.01 -171.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 174.85 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.4 p -66.57 -38.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.78 32.75 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 172.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.09 -155.38 6.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.41 144.07 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.9 t -72.99 -32.46 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD13 ' A' ' 71' ' ' ILE . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HA ' HD21 ' A' ' 94' ' ' LEU . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 HD23 ' A' ' 68' ' ' LEU . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG12 HG13 ' A' ' 112' ' ' VAL . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.512 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -53.92 131.46 40.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.597 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -89.64 -171.51 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.47 -35.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 40.8 mt-30 -86.15 48.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 72.2 67.0 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.0 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' THR . 0.1 OUTLIER 73.24 -60.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LYS . 63.5 p -36.23 118.95 0.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.548 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.0 109.79 3.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 70.34 66.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.673 ' CB ' HG22 ' A' ' 112' ' ' VAL . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 HD13 ' A' ' 115' ' ' LEU . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.9 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CD1' HD21 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 89' ' ' PHE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.735 HD13 HD11 ' A' ' 91' ' ' ILE . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p -82.64 -37.03 25.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 122' ' ' GLY . 14.4 mtmt -88.22 15.02 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.0 -30.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -101.29 -147.1 19.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.06 27.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.5 t -95.93 75.91 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 113.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.02 151.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.033 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.94 114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.14 -168.05 14.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.23 140.19 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -165.25 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.73 -82.25 0.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.415 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -169.64 63.33 0.48 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -75.01 165.49 31.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -114.27 101.17 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 63.02 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 178.89 136.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 55.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -51.86 -33.9 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 45.82 62.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' NE ' HG23 ' A' ' 38' ' ' ILE . 3.7 ttt180 171.43 143.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' A' ' 89' ' ' PHE . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.499 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -66.64 125.11 24.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' HB2' HD21 ' A' ' 33' ' ' LEU . 50.8 t0 -78.55 170.85 15.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 52.9 t30 -108.09 16.45 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' ASN . 11.8 pt-20 -77.65 -40.3 42.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 47.9 m-80 -143.62 18.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.2 63.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 178.67 -42.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 125.16 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 30.9 m-85 -100.18 148.22 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' NH2' ' HE1' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CE2' ' OD1' ' A' ' 52' ' ' ASN . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.497 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 68' ' ' LEU . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 63' ' ' VAL . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HE1' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -143.68 163.85 32.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CE2' ' A' ' 36' ' ' TYR . 2.6 m-80 -44.45 148.58 0.86 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.93 21.53 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.96 -15.38 59.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -101.28 -32.58 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -109.83 144.42 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.41 -42.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.13 37.76 3.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -96.18 157.69 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.7 -142.77 9.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.3 130.24 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p -67.6 -14.12 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 47' ' ' LEU . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 69' ' ' THR . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 71' ' ' ILE . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 67' ' ' GLN . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HA ' HD21 ' A' ' 94' ' ' LEU . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 HD23 ' A' ' 68' ' ' LEU . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.696 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.651 ' CD1' HG21 ' A' ' 112' ' ' VAL . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.968 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -61.62 159.08 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.15 170.48 6.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -74.99 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -5.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -121.01 -60.68 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.544 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.8 mmtt -144.22 82.71 10.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.5 Cg_endo -74.97 -177.08 3.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 72.44 11.19 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.3 p -125.53 114.79 25.23 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -95.3 75.76 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.968 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 115' ' ' LEU . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 70' ' ' TYR . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.653 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.798 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 108' ' ' LEU . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.577 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -45.73 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -86.35 9.87 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER 86.26 -45.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.21 -164.43 8.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.37 22.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.4 t -153.59 126.9 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -168.54 156.15 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.91 -58.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.82 -73.92 0.47 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t 71.79 -68.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.994 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -164.63 147.17 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.67 -91.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -157.29 67.52 4.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.53 42.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -101.28 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.6 t 66.57 10.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' VAL . 30.0 m-20 52.25 100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.19 79.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' THR . 30.7 mt-30 -51.1 -23.76 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.19 86.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -43.21 130.71 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' A' ' 110' ' ' ASP . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 111' ' ' TRP . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 -53.35 117.31 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD2' ' CD2' ' A' ' 33' ' ' LEU . 2.8 p30 -94.95 154.87 16.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.24 6.85 47.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.76 -48.61 63.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.45 13.31 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 39.1 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.62 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HE3' ' CD2' ' A' ' 33' ' ' LEU . 13.0 tttt -109.5 144.29 37.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 -114.52 121.57 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 HH22 ' A' ' 35' ' ' ARG . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.703 ' HG2' HG11 ' A' ' 63' ' ' VAL . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 36' ' ' TYR . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 17' ' ' ILE . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 14' ' ' GLN . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' HD12 ' A' ' 68' ' ' LEU . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.732 ' N ' HD13 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.563 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE3' HG21 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.15 173.64 11.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.678 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 2.1 m-80 -49.18 146.9 5.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD3' ' CE2' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.03 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -23.38 58.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' OD1' HD23 ' A' ' 56' ' ' LEU . 3.1 p30 -102.26 -28.25 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD23 ' OD1' ' A' ' 55' ' ' ASN . 13.6 mt -67.4 -169.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.62 178.58 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.74 -40.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.28 15.33 50.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.65 162.71 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.66 -142.05 9.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.12 130.6 23.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' HG2' ' A' ' 35' ' ' ARG . 8.8 p -63.92 -17.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 71' ' ' ILE . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.645 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.799 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -63.43 131.21 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 171.4 9.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.34 -15.18 29.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -116.19 -55.88 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 2.0 mmtm -139.82 81.01 19.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.11 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 70.77 -61.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -55.17 117.35 14.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -73.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 -89.19 73.49 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 100' ' ' LEU . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 91' ' ' ILE . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.779 ' C ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.672 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.75 ' HB3' HD11 ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.615 ' CD2' HD11 ' A' ' 21' ' ' LEU . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 76' ' ' ILE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.799 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -38.06 28.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 122' ' ' GLY . 13.3 mmtt -89.21 15.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.7 t -39.6 -29.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -132.11 150.23 19.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.15 31.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.7 t -59.59 -53.22 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.055 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -42.57 114.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.5 m -133.32 100.12 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.778 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.73 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 105.42 -139.69 14.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -151.07 100.93 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.77 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -63.81 1.78 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.3 mtp -147.35 92.91 4.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -74.98 -177.09 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.0 m-85 -169.14 175.47 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER 37.54 -155.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . 3.7 p30 -79.21 163.03 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.06 63.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.18 -32.04 54.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.697 ' HB2' HG21 ' A' ' 41' ' ' THR . 3.4 p30 -177.38 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 38' ' ' ILE . 5.2 ttt-85 -82.29 145.57 29.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG22 ' HB3' ' A' ' 39' ' ' LEU . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 16.0 t0 -106.05 168.72 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 16.5 t-20 -90.38 16.99 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -52.46 63.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -144.54 -145.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -127.98 93.1 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.23 32.3 2.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -119.97 138.09 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 -129.0 140.23 51.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 38' ' ' ILE . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' ILE . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.697 HG21 ' HB2' ' A' ' 15' ' ' ASN . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.817 ' HA ' HD12 ' A' ' 68' ' ' LEU . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.626 ' HE1' HG23 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.44 174.94 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -45.5 133.05 6.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -8.64 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -18.82 44.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -103.3 -22.37 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.05 -172.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.9 152.43 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -48.62 -39.41 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.56 36.99 3.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -102.79 176.06 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.45 -173.15 30.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -106.5 143.44 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.8 m -66.13 -24.69 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.636 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' ASN . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 67' ' ' GLN . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 69' ' ' THR . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.665 ' CD1' HG21 ' A' ' 112' ' ' VAL . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.788 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -75.59 134.05 40.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.477 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER -94.6 -178.84 0.86 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.06 -36.72 2.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -15.81 59.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -110.92 -52.03 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 1.1 mmtm -148.15 86.67 5.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -65.35 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' PRO . 44.5 p -55.87 117.11 14.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -56.34 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -102.79 81.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.878 HD11 HD13 ' A' ' 115' ' ' LEU . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.639 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.949 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 21' ' ' LEU . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 91' ' ' ILE . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -76.62 -66.33 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -87.77 -86.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.54 -32.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.3 171.3 5.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 77.6 p -168.19 166.59 12.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 38' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.425 ' C ' HD23 ' A' ' 33' ' ' LEU . 65.5 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.464 0.173 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 36' ' ' TYR . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.674 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.962 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.962 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 44' ' ' ASN . 27.9 t30 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.65 ' HE1' HG23 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.418 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 47' ' ' LEU . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.782 ' HB3' HG22 ' A' ' 69' ' ' THR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 71' ' ' ILE . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.55 ' CD1' HG21 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.477 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 100' ' ' LEU . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 98' ' ' TYR . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.737 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' CD1' HD21 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 108' ' ' LEU . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 17' ' ' ILE . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.865 HG22 ' CB ' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 21' ' ' LEU . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' CE2' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.557 ' HE2' HD11 ' A' ' 38' ' ' ILE . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 ' HE2' ' A' ' 36' ' ' TYR . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.865 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.788 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HA ' HG23 ' A' ' 63' ' ' VAL . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.8 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.581 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.826 ' HB3' HG22 ' A' ' 69' ' ' THR . 51.2 mm-40 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.826 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.803 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.858 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.454 0.168 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 21' ' ' LEU . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.858 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 115' ' ' LEU . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 94' ' ' LEU . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.831 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.827 ' CE2' HD11 ' A' ' 21' ' ' LEU . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.803 HG21 ' CD1' ' A' ' 76' ' ' ILE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.569 HG22 ' CB ' ' A' ' 39' ' ' LEU . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' C ' HD23 ' A' ' 33' ' ' LEU . 20.0 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.486 0.184 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.52 HD11 ' HE2' ' A' ' 36' ' ' TYR . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.674 ' O ' HG12 ' A' ' 63' ' ' VAL . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 48' ' ' TRP . 12.5 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.616 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 112' ' ' VAL . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CB ' HG22 ' A' ' 112' ' ' VAL . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.879 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 100' ' ' LEU . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 100' ' ' LEU . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.569 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.555 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 91' ' ' ILE . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.763 HG22 ' CB ' ' A' ' 39' ' ' LEU . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CE2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 50.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD11 ' CE2' ' A' ' 36' ' ' TYR . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.763 ' CB ' HG22 ' A' ' 17' ' ' ILE . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.681 ' HE1' HG23 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.503 ' HE2' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 118' ' ' ALA . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.688 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' A' ' 115' ' ' LEU . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.593 ' CD1' HG21 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 1.012 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 100' ' ' LEU . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.012 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.617 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.741 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.9 ' CE2' HD11 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.826 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 111' ' ' TRP . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' A' ' 63' ' ' VAL . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' TRP . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.657 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.973 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.492 ' HE3' HD12 ' A' ' 46' ' ' LEU . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.644 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.771 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.472 0.177 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 115' ' ' LEU . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.575 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.736 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 91' ' ' ILE . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.587 ' NE ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.794 HD11 ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HE ' HG21 ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG23 ' NE ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HB1' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.791 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.584 ' NE1' HG23 ' A' ' 63' ' ' VAL . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE3' HG11 ' A' ' 63' ' ' VAL . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE ' ' A' ' 35' ' ' ARG . 15.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.548 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.8 mm100 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.705 HG23 ' HD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.705 ' HD1' HG23 ' A' ' 69' ' ' THR . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 115' ' ' LEU . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.468 0.175 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 115' ' ' LEU . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 100' ' ' LEU . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' HG22 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 98' ' ' TYR . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.479 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.794 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.719 ' CD2' HD11 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.776 HG21 ' CD1' ' A' ' 76' ' ' ILE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.707 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.893 HD13 HD11 ' A' ' 91' ' ' ILE . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.48 ' NE ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.524 0.202 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 48' ' ' TRP . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.48 HG23 ' NE ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' CD1' HD23 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.909 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.909 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.551 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 47' ' ' LEU . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.883 ' HB3' HG22 ' A' ' 69' ' ' THR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.612 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 112' ' ' VAL . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.999 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.999 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.654 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.627 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.645 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CD2' HD11 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 76' ' ' ILE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 74' ' ' VAL . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 11.5 ttp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 111' ' ' TRP . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' C ' HD23 ' A' ' 33' ' ' LEU . 76.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.542 0.211 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD2' HG11 ' A' ' 63' ' ' VAL . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 36' ' ' TYR . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 17' ' ' ILE . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.706 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.706 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CD1' HG13 ' A' ' 63' ' ' VAL . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.43 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG13 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' HA ' HD21 ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 HG13 ' A' ' 112' ' ' VAL . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.507 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.598 ' HD1' HD23 ' A' ' 108' ' ' LEU . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.94 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 115' ' ' LEU . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.718 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CE2' HD11 ' A' ' 21' ' ' LEU . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.821 HG13 HG12 ' A' ' 74' ' ' VAL . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.674 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.661 HD23 HD13 ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.871 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CE2' ' A' ' 49' ' ' TYR . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.765 ' CB ' HG22 ' A' ' 17' ' ' ILE . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 38' ' ' ILE . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.411 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.871 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.9 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.65 ' HB3' HG22 ' A' ' 69' ' ' THR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' A' ' 118' ' ' ALA . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 67' ' ' GLN . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 115' ' ' LEU . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 108' ' ' LEU . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.499 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.631 ' CB ' HG22 ' A' ' 112' ' ' VAL . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' HB2' ' A' ' 77' ' ' ALA . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 115' ' ' LEU . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.635 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.802 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.784 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.666 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 91' ' ' ILE . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.709 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 ' CD1' ' A' ' 111' ' ' TRP . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 16.7 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HE ' HG11 ' A' ' 63' ' ' VAL . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' NH1' ' A' ' 16' ' ' ARG . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.709 ' CB ' HG22 ' A' ' 17' ' ' ILE . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 68' ' ' LEU . 21.1 t30 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.461 ' HE3' HD12 ' A' ' 46' ' ' LEU . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HA ' HG23 ' A' ' 63' ' ' VAL . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HE ' ' A' ' 35' ' ' ARG . 2.0 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 71' ' ' ILE . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.857 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' ASN . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 108' ' ' LEU . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CB ' HG22 ' A' ' 112' ' ' VAL . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.665 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.882 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.582 ' HB3' HD11 ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.767 ' CD1' HD21 ' A' ' 21' ' ' LEU . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.684 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.508 0.194 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.798 ' HE2' HD11 ' A' ' 38' ' ' ILE . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 36' ' ' TYR . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' CD1' HD23 ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' ASN . 26.7 t30 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.632 ' HE1' HG23 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CE1' HD12 ' A' ' 38' ' ' ILE . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 63' ' ' VAL . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' HE1' ' A' ' 48' ' ' TRP . 28.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.536 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 71' ' ' ILE . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.808 ' HB3' HG22 ' A' ' 69' ' ' THR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.556 ' HA ' HD21 ' A' ' 94' ' ' LEU . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.761 HD11 HG21 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 1.036 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.54 0.209 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.036 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.776 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' ' 74' ' ' VAL . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.787 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 111' ' ' TRP . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.18 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' A' ' 38' ' ' ILE . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 36' ' ' TYR . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.096 HD13 HD23 ' A' ' 115' ' ' LEU . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.648 ' HA ' HD12 ' A' ' 68' ' ' LEU . 26.6 t30 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.554 ' HB3' HD23 ' A' ' 47' ' ' LEU . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 44' ' ' ASN . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HA ' HD11 ' A' ' 94' ' ' LEU . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.517 HG12 HG13 ' A' ' 112' ' ' VAL . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.945 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.461 0.172 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CB ' HG22 ' A' ' 112' ' ' VAL . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.945 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 115' ' ' LEU . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.649 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.56 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.551 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 76' ' ' ILE . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.69 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.096 HD23 HD13 ' A' ' 39' ' ' LEU . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.627 ' ND2' HG12 ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.771 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 111' ' ' TRP . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 1.018 ' CE2' HD11 ' A' ' 38' ' ' ILE . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.018 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' CD1' HD23 ' A' ' 46' ' ' LEU . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 68' ' ' LEU . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.624 ' HA ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' TYR . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 71' ' ' ILE . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 44' ' ' ASN . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.602 ' HA ' HD11 ' A' ' 94' ' ' LEU . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 115' ' ' LEU . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.475 0.179 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CB ' HG22 ' A' ' 112' ' ' VAL . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.428 HD11 HD13 ' A' ' 115' ' ' LEU . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.646 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 100' ' ' LEU . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 90' ' ' VAL . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.75 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.694 ' HB3' HD11 ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.475 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.546 0.212 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 41' ' ' THR . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.777 ' O ' HG12 ' A' ' 63' ' ' VAL . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 48' ' ' TRP . 13.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 71' ' ' ILE . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' HA ' HD21 ' A' ' 94' ' ' LEU . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 68' ' ' LEU . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 115' ' ' LEU . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.987 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.482 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.987 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 115' ' ' LEU . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.643 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HD13 ' A' ' 108' ' ' LEU . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.828 ' CE2' HD11 ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' N ' HD13 ' A' ' 17' ' ' ILE . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.719 ' HE ' HG11 ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 41' ' ' THR . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 68' ' ' LEU . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.522 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.477 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG11 ' HE ' ' A' ' 35' ' ' ARG . 14.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.512 ' HB2' HD23 ' A' ' 47' ' ' LEU . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 44' ' ' ASN . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 115' ' ' LEU . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.636 HD11 HG21 ' A' ' 112' ' ' VAL . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.934 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CB ' HG22 ' A' ' 112' ' ' VAL . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.934 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CD1' HG22 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.527 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.617 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 108' ' ' LEU . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 39' ' ' LEU . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' C ' HD23 ' A' ' 33' ' ' LEU . 79.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.476 0.179 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.91 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' HG23 ' A' ' 63' ' ' VAL . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.3 mm-40 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.731 ' HA ' HD21 ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 115' ' ' LEU . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HG21 ' A' ' 112' ' ' VAL . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.507 0.194 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.71 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.731 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 100' ' ' LEU . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 76' ' ' ILE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.796 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' CD ' HG23 ' A' ' 38' ' ' ILE . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.69 HD11 ' HB3' ' A' ' 110' ' ' ASP . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' HD23 ' A' ' 33' ' ' LEU . 71.1 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.528 0.204 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD2' HG21 ' A' ' 63' ' ' VAL . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 38' ' ' ILE . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.486 HG23 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.748 HD23 ' HB1' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.829 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.52 ' HE3' HD12 ' A' ' 46' ' ' LEU . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.667 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD13 ' A' ' 71' ' ' ILE . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HA ' HD21 ' A' ' 94' ' ' LEU . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 HD23 ' A' ' 68' ' ' LEU . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.64 HG12 HG13 ' A' ' 112' ' ' VAL . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.512 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.489 0.185 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.673 ' CB ' HG22 ' A' ' 112' ' ' VAL . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 HD13 ' A' ' 115' ' ' LEU . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.9 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CD1' HD21 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 89' ' ' PHE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.735 HD13 HD11 ' A' ' 91' ' ' ILE . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' NE ' HG23 ' A' ' 38' ' ' ILE . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' A' ' 89' ' ' PHE . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.499 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 30.9 m-85 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' NH2' ' HE1' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.497 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.692 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 68' ' ' LEU . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 63' ' ' VAL . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.527 ' HE1' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 47' ' ' LEU . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 69' ' ' THR . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 71' ' ' ILE . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 67' ' ' GLN . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HA ' HD21 ' A' ' 94' ' ' LEU . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 HD23 ' A' ' 68' ' ' LEU . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.696 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.651 ' CD1' HG21 ' A' ' 112' ' ' VAL . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.968 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.968 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 115' ' ' LEU . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 70' ' ' TYR . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.653 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.798 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 108' ' ' LEU . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.577 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' A' ' 110' ' ' ASP . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 111' ' ' TRP . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.548 0.213 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 HH22 ' A' ' 35' ' ' ARG . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.703 ' HG2' HG11 ' A' ' 63' ' ' VAL . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 36' ' ' TYR . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 17' ' ' ILE . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' HD12 ' A' ' 68' ' ' LEU . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.732 ' N ' HD13 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.563 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE3' HG21 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' HG2' ' A' ' 35' ' ' ARG . 8.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 71' ' ' ILE . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.645 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.799 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 100' ' ' LEU . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 91' ' ' ILE . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.672 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.75 ' HB3' HD11 ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.615 ' CD2' HD11 ' A' ' 21' ' ' LEU . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 76' ' ' ILE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.799 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 38' ' ' ILE . 5.2 ttt-85 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.662 HG22 ' HB3' ' A' ' 39' ' ' LEU . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 38' ' ' ILE . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' ILE . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.817 ' HA ' HD12 ' A' ' 68' ' ' LEU . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.626 ' HE1' HG23 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.636 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' ASN . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 67' ' ' GLN . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 69' ' ' THR . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.665 ' CD1' HG21 ' A' ' 112' ' ' VAL . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.788 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.479 0.18 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.878 HD11 HD13 ' A' ' 115' ' ' LEU . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.639 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.949 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 21' ' ' LEU . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 91' ' ' ILE . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.61 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.93 118.96 36.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 142.25 15.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.09 167.35 13.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.4 145.83 51.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.16 -74.96 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mtt -156.45 92.77 2.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.11 2.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -144.47 171.95 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.7 t 66.88 152.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 13' ' ' ARG . 13.0 t70 -178.84 170.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER 64.17 57.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -40.92 -35.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 64.73 128.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 38' ' ' ILE . 1.9 ttt-85 -65.18 146.5 54.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.6 tt -126.15 151.36 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.02 163.9 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 160.64 -165.76 35.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.01 112.15 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 111' ' ' TRP . 35.0 mt -110.76 172.96 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -129.9 94.92 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.02 132.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.22 107.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 63.8 t0 -46.93 127.53 10.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.0 -15.38 43.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.65 47.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 168.91 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.95 79.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.067 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 150.42 -38.26 0.89 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.63 132.76 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 65.5 m-85 -112.32 145.71 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 25' ' ' ASP . 3.0 mt -95.67 109.06 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -80.38 104.65 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 88.3 mmt-85 -132.19 159.73 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 t80 -87.8 98.43 11.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.6 m-85 -76.65 140.96 41.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 36' ' ' TYR . 7.6 mt -136.99 109.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.674 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.7 99.41 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.962 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -96.78 112.97 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 p -76.99 -37.0 56.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.45 -43.56 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.962 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.18 -21.03 43.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 44' ' ' ASN . 27.9 t30 59.99 36.9 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 27.0 m -150.67 166.94 28.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -109.09 127.82 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -127.3 126.35 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.65 ' HE1' HG23 ' A' ' 63' ' ' VAL . 16.2 p90 -118.89 121.04 39.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 8.0 m-85 -111.05 151.53 27.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 4.2 mtp -45.17 -42.06 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.31 171.35 18.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -40.91 138.67 1.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -18.91 53.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.34 -22.76 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.47 -171.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -108.38 145.08 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -45.3 -36.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.65 34.35 3.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -101.53 179.06 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.25 -167.91 19.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -111.94 144.4 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.4 m -67.58 -21.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.53 164.14 37.37 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 47' ' ' LEU . 98.8 p -139.89 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.953 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.36 104.36 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.782 ' HB3' HG22 ' A' ' 69' ' ' THR . 18.3 mm-40 -65.09 127.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 71' ' ' ILE . 21.6 mt -63.51 -22.35 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.0 t -56.45 -21.86 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 25.4 m-85 -89.51 -59.31 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -41.11 140.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -43.61 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -146.22 146.81 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.3 t -126.68 98.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -117.23 167.06 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.55 ' CD1' HG21 ' A' ' 112' ' ' VAL . 22.1 mm -76.58 129.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -52.54 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 5.2 p -137.89 164.89 37.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.3 Cg_endo -74.95 -0.1 9.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.81 -8.89 20.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.78 -53.73 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.5 mmtt -152.21 81.09 5.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.99 -170.87 0.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 67.22 18.12 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.0 p -138.27 116.32 9.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -95.52 75.95 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 127.87 41.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 8.4 p90 -115.0 147.65 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.67 121.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 71' ' ' ILE . 37.5 mt -85.47 105.31 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -83.28 126.42 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.17 -143.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' ALA . 6.7 mt -39.17 -64.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 31.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -125.57 174.85 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -145.19 110.06 5.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 100' ' ' LEU . 59.6 m-85 -86.25 127.78 34.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.9 m-85 -97.52 112.92 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 98' ' ' TYR . 2.7 mp -123.99 156.4 36.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.97 146.21 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -111.61 163.42 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.24 -66.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -170.72 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.2 tt0 -76.53 -24.64 53.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -69.8 -67.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -45.48 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -53.64 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -49.03 -59.84 3.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.737 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -40.48 -61.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' CD1' HD21 ' A' ' 21' ' ' LEU . 31.1 m95 -47.7 -63.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 108' ' ' LEU . 60.3 t -43.03 -42.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.32 -55.11 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 17' ' ' ILE . . . -54.11 -44.5 71.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.0 mt -68.43 -20.48 64.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.24 -13.69 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -96.77 -44.24 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.68 -22.09 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 p -82.51 -41.83 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.2 32.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.5 m 39.23 33.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.2 -147.46 30.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.72 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.7 m -155.69 168.42 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.9 p -86.95 141.07 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 171.34 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -119.99 170.01 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.58 10.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -156.59 172.7 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -124.16 -54.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.14 -84.05 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -148.07 71.42 11.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -176.84 3.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' CG1' ' A' ' 11' ' ' VAL . 64.0 m-85 -118.41 166.74 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' CG ' ' A' ' 14' ' ' GLN . 1.5 p 40.9 90.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -68.49 141.03 55.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 43.93 61.88 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.3 mt-30 -45.2 -35.35 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 83.64 -8.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 6.8 ttt180 160.37 145.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.865 HG22 ' CB ' ' A' ' 39' ' ' LEU . 2.6 tt -117.99 155.44 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 p -150.42 144.97 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.67 -172.57 43.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 21' ' ' LEU . 58.9 m-85 -108.69 129.17 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' CE2' ' A' ' 111' ' ' TRP . 63.4 mt -132.89 148.62 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -108.8 93.29 4.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -80.8 133.26 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 34.8 tt0 -72.96 113.23 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -90.39 151.27 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.99 0.48 27.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -134.73 17.19 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.06 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.52 -45.6 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -80.9 150.09 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 35.8 m-85 -115.62 143.11 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.25 108.71 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -69.35 123.89 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.3 mmt-85 -143.53 168.05 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.557 ' HE2' HD11 ' A' ' 38' ' ' ILE . 39.3 t80 -100.69 95.48 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.6 m-85 -76.58 150.5 36.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 ' HE2' ' A' ' 36' ' ' TYR . 49.8 mt -145.14 110.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.865 ' CB ' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -78.77 104.47 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -105.04 115.78 30.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 p -78.63 -22.53 46.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -76.31 -40.98 50.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -25.67 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.4 t30 63.78 27.01 14.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.62 156.99 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -103.93 126.87 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.788 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -127.21 130.75 50.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.1 p90 -120.95 126.84 50.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 108.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HA ' HG23 ' A' ' 63' ' ' VAL . 29.2 m-85 -112.68 135.41 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -36.8 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.7 m-20 -150.79 161.2 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 36' ' ' TYR . 7.3 m120 -42.26 148.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.43 10.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.42 -11.62 35.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.72 -32.93 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.19 -169.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.76 175.07 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.97 -50.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.2 44.12 3.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.72 161.66 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.81 -143.42 7.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.03 146.51 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.8 t -70.6 -32.32 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.581 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.06 147.84 12.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 40.4 p -122.41 150.69 42.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -136.95 107.15 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.826 ' HB3' HG22 ' A' ' 69' ' ' THR . 51.2 mm-40 -68.24 123.69 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.29 -19.85 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.826 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.7 t -62.7 -19.25 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 21.5 m-85 -87.34 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.39 137.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -42.58 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -146.36 149.15 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.4 t -131.24 104.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 t -121.67 161.8 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.803 ' CD1' HG21 ' A' ' 112' ' ' VAL . 6.9 mm -75.17 126.73 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.858 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -57.25 177.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -136.87 169.23 13.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.4 ' HA ' ' CA ' ' A' ' 83' ' ' PRO . 18.1 Cg_endo -75.05 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -94.44 -17.98 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.86 -48.33 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.2 mmtm -147.11 80.64 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' CA ' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 74.84 22.33 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.3 p -138.79 113.78 8.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -93.43 75.94 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.62 133.11 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.273 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 21' ' ' LEU . 10.7 p90 -122.18 145.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.858 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.28 128.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 115' ' ' LEU . 41.3 mt -91.46 105.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -80.4 123.47 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.51 -151.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 94' ' ' LEU . 5.7 mt -39.7 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -153.76 39.89 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.5 tt0 -136.3 158.38 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -128.16 116.24 19.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 66.1 m-85 -100.3 125.23 46.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 55.6 m-85 -99.37 117.6 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.47 153.33 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -117.82 139.39 51.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.52 174.79 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -82.49 -58.11 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.14 -161.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.3 tt0 -87.01 -25.74 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' CE ' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -73.1 -62.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.12 -31.17 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -63.43 -71.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -48.87 -54.06 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.831 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.22 -58.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.827 ' CE2' HD11 ' A' ' 21' ' ' LEU . 17.4 m95 -52.01 -62.14 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.803 HG21 ' CD1' ' A' ' 76' ' ' ILE . 53.0 t -43.82 -56.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.05 -49.53 71.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.14 83.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.0 mt -70.56 -15.06 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.29 -14.21 27.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -98.44 -48.15 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.39 79.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -90.26 -3.41 57.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 38.5 82.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -53.92 -21.08 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -152.31 163.49 30.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.19 3.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.4 t -127.77 136.61 51.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t -134.13 107.11 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 64.08 -78.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 29.3 t -73.3 -57.81 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -128.93 6.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -117.72 137.62 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -177.0 135.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.94 -69.35 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -174.19 63.93 0.27 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -74.99 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.567 1.825 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' VAL . 1.0 OUTLIER -130.58 -145.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' TYR . 5.1 p -38.41 113.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.41 -173.06 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -89.15 22.63 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -36.61 -36.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.44 127.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 1.9 ttt-85 -78.95 144.92 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.569 HG22 ' CB ' ' A' ' 39' ' ' LEU . 7.0 tt -121.81 155.38 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -146.65 149.41 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.61 147.11 4.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -74.02 125.61 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 81.3 mt -123.18 144.41 49.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 93.05 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -80.27 129.51 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 138.49 43.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 26' ' ' ASN . 19.6 t70 -116.57 168.58 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 25' ' ' ASP . 62.6 t30 -89.36 15.89 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -62.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -136.93 18.67 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.39 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.95 -18.83 1.96 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 141.66 33.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' C ' HD23 ' A' ' 33' ' ' LEU . 20.0 m-85 -103.93 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.1 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -75.44 100.26 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 50' ' ' MET . 1.1 mpt_? -130.82 141.05 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.4 t80 -91.52 97.36 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -81.6 147.99 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.52 HD11 ' HE2' ' A' ' 36' ' ' TYR . 23.0 mt -144.51 118.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.2 tp -79.71 105.36 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -102.35 115.91 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -84.67 -22.84 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -74.41 -41.09 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' ASN . . . -78.31 -33.44 49.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 32.3 t-20 76.17 24.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.8 m -148.61 150.08 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -90.37 126.55 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.3 mt -125.51 131.24 52.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.674 ' O ' HG12 ' A' ' 63' ' ' VAL . 17.2 p90 -125.43 126.58 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' MET . 7.9 m-85 -108.4 139.1 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.86 -41.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.4 169.21 18.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -45.65 148.91 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.95 -15.43 20.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.31 -22.56 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -93.26 -34.44 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.27 -169.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.04 177.65 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.8 t -82.69 123.65 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.99 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.67 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.62 -136.13 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.9 135.03 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 48' ' ' TRP . 12.5 p -65.15 -12.76 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.79 161.17 33.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.0 p -146.34 154.97 42.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.51 96.07 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -60.32 124.07 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.63 -21.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -58.12 -23.33 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.616 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.5 m-85 -86.9 -58.56 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.432 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.43 139.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -123.8 -46.87 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -143.76 147.47 34.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.3 t -127.4 98.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -113.27 165.04 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 112' ' ' VAL . 46.3 mm -73.42 133.07 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -67.47 169.14 9.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.15 174.48 4.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' HA ' ' CA ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.98 -28.95 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -66.93 -23.36 65.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 2.9 mt-30 -101.37 -52.42 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 3.4 mmtm -149.24 86.69 5.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' CA ' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -74.99 178.23 7.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mttp 75.23 12.63 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 p -136.83 112.37 9.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -101.78 77.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.43 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CB ' HG22 ' A' ' 112' ' ' VAL . 16.5 p90 -123.63 137.37 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.879 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.5 t -105.08 118.74 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -82.96 104.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.86 126.65 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.6 -146.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.6 mt -39.24 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -153.92 24.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.13 174.18 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.14 113.93 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 100' ' ' LEU . 93.2 m-85 -93.75 119.11 32.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 37.1 m-85 -95.8 115.39 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 100' ' ' LEU . 1.8 mp -124.78 160.29 29.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -124.2 131.74 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.27 175.49 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.26 -54.18 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.05 -164.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -82.17 -28.58 32.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.76 -67.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.21 -46.98 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -54.42 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -53.56 -55.06 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.569 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -46.0 -64.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.9 m95 -44.48 -55.8 4.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 108' ' ' LEU . 47.0 t -51.05 -48.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.03 -49.21 78.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.555 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -58.99 -43.3 91.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 91' ' ' ILE . 25.4 mt -72.77 -15.15 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -90.92 -16.82 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.79 -60.93 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.12 -25.26 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -77.92 -53.69 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.86 -10.17 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 2.2 t -105.88 30.68 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.71 -146.72 4.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.23 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.8 p -158.98 -57.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 m 43.01 86.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -123.57 -57.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.11 132.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.59 -158.0 51.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.84 138.05 38.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -41.65 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 -86.24 0.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 2.1 ttt -74.99 -51.95 3.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -74.99 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -136.31 174.6 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 t 60.81 162.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.48 20.17 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 55.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -93.79 33.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 2.7 p30 -125.37 -149.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -39.58 110.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.763 HG22 ' CB ' ' A' ' 39' ' ' LEU . 1.6 tt -107.36 152.24 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.29 142.67 27.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.68 177.63 43.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 36' ' ' TYR . 55.2 m-85 -102.31 118.97 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CE2' ' A' ' 111' ' ' TRP . 35.2 mt -120.88 145.15 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.72 99.21 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 12.7 tt -87.46 135.94 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 14.7 tt0 -76.73 130.72 38.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.868 ' HB2' HD21 ' A' ' 33' ' ' LEU . 13.0 t0 -76.57 151.35 36.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.7 -30.62 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 1.3 mt-10 -100.3 75.88 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 7.5 m-20 169.64 150.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.9 p -80.32 69.4 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.42 72.98 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 13.0 tttt -125.94 127.01 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 50.0 m-85 -98.83 124.28 43.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -94.65 120.14 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 99.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 50' ' ' MET . 0.1 OUTLIER -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 21.2 t80 -93.16 97.71 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.36 147.5 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD11 ' CE2' ' A' ' 36' ' ' TYR . 47.5 mt -142.95 111.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.763 ' CB ' HG22 ' A' ' 17' ' ' ILE . 11.9 tp -75.35 105.05 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -104.23 115.29 30.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.4 p -80.92 -17.01 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -82.59 -37.79 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -20.06 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.1 18.67 9.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.2 m -142.53 154.08 44.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -94.77 126.36 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 9.1 mt -124.03 122.1 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.681 ' HE1' HG23 ' A' ' 63' ' ' VAL . 10.5 p90 -116.44 131.69 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 3.8 m-85 -118.66 145.47 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HE2' ' NH1' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -44.81 -31.13 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -153.38 170.11 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 8.2 p-10 -50.68 148.86 6.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.43 19.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.773 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -81.94 -10.99 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -18.28 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.5 -172.33 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.96 175.89 5.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.63 -51.53 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.79 44.21 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.16 178.14 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.44 -162.1 10.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -118.31 147.28 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.3 m -66.94 -24.41 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -163.14 159.64 32.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.7 p -135.06 167.16 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.7 mt -148.06 100.98 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 69' ' ' THR . 9.4 mm-40 -64.16 119.09 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 118' ' ' ALA . 35.0 mt -47.6 -30.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.4 t -53.79 -29.57 40.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.688 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.5 m-85 -76.26 -61.27 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -42.18 140.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -123.33 -43.24 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -148.94 148.35 29.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' A' ' 115' ' ' LEU . 47.0 t -127.4 98.05 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -115.12 164.85 13.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.593 ' CD1' HG21 ' A' ' 112' ' ' VAL . 25.8 mm -74.66 131.83 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.012 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -64.61 132.6 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -92.18 170.83 8.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.43 8.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -12.17 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.72 -52.48 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -149.02 82.92 6.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.04 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.65 14.45 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 83' ' ' PRO . 71.8 p -129.8 114.38 17.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -99.86 75.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 128.2 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 100' ' ' LEU . 41.4 p90 -116.25 146.03 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.012 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -111.12 122.03 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -84.56 104.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.86 122.88 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.5 -149.62 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.48 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.8 m -148.67 38.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 35.4 tt0 -135.32 159.59 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.486 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -128.31 114.72 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.8 m-85 -92.82 115.59 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -90.62 115.4 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.617 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.0 mp -123.56 152.03 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -121.55 131.53 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -94.81 -176.3 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -93.03 -57.77 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.31 -163.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.6 tt0 -84.66 -24.93 28.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -68.56 -68.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -40.38 -51.25 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -51.0 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -51.32 -58.61 5.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.741 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -43.4 -55.4 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.9 ' CE2' HD11 ' A' ' 21' ' ' LEU . 24.1 m95 -53.13 -59.07 5.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.4 t -46.79 -53.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.13 -49.38 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -57.32 -42.28 81.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.826 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.7 mt -74.35 -16.63 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -17.34 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 2.1 mm-40 -91.52 -61.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.03 -44.5 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.76 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -85.78 7.88 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 3.9 m 58.92 30.02 19.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.91 -171.59 16.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -33.92 4.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -178.87 125.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.89 125.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -68.9 151.01 47.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.7 110.32 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.0 122.85 6.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -55.97 109.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -111.4 126.95 55.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.81 92.81 1.8 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 mtm 48.44 90.16 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -124.97 150.08 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.6 t 63.78 70.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 167.93 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.91 56.98 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -102.6 35.69 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -81.3 77.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.94 105.09 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.1 tt -105.13 149.47 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -145.87 154.95 42.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.31 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.42 -173.77 42.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -108.65 112.8 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 111' ' ' TRP . 57.7 mt -114.8 170.44 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.81 93.92 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -85.9 124.1 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.96 136.71 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -123.46 173.5 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -89.3 18.29 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -78.75 82.65 4.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 11.3 m-20 84.88 8.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 47.36 98.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.46 25.83 3.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.39 120.73 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.76 140.83 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.55 107.72 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 108.37 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' A' ' 63' ' ' VAL . 74.2 mmt-85 -138.86 155.04 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 52' ' ' ASN . 9.8 t80 -86.86 113.03 22.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' LEU . 18.5 m-85 -94.7 135.65 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.0 mt -130.27 113.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.657 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.7 tp -74.37 101.52 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.973 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 p30 -96.96 113.59 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -80.47 -50.62 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.91 -37.9 21.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 40' ' ' ASP . . . -81.56 -28.4 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 63.0 t30 66.57 34.32 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.7 m -148.23 172.8 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 108.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -116.31 127.05 54.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -132.72 124.66 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.492 ' HE3' HD12 ' A' ' 46' ' ' LEU . 37.2 p90 -115.58 132.23 56.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -112.13 149.47 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mtp -41.8 -32.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.21 169.24 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.555 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 1.2 m120 -47.99 142.37 7.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -9.9 20.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.67 -14.56 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 49.4 mt -77.7 -173.89 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.33 173.05 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.4 p -68.02 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.3 28.92 6.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.24 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.16 -160.24 8.38 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.3 148.14 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.8 t -72.64 -32.13 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 -148.86 4.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 65.6 p -178.83 153.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -150.81 97.46 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.9 132.97 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.38 -16.21 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -64.68 -23.6 67.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.644 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.4 m-85 -84.08 -54.67 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.82 138.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -123.57 -42.11 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.08 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -150.14 147.85 28.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 115' ' ' LEU . 40.4 t -127.22 100.62 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.4 t -119.75 162.33 19.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 112' ' ' VAL . 30.7 mm -75.09 122.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.771 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -40.09 125.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -73.68 160.19 82.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 69.35 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -177.38 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' OE1' ' CD ' ' A' ' 97' ' ' ARG . 3.1 mt-30 -77.01 -51.65 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.2 mmmt -148.52 72.4 10.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 -177.57 3.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 85.22 -50.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 36.6 p -66.12 130.32 94.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 -72.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -98.75 80.43 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.29 130.61 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.9 p90 -117.91 142.86 46.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -103.71 123.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 115' ' ' LEU . 26.6 mt -89.16 104.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -79.44 127.14 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.71 -143.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 70' ' ' TYR . 6.0 mt -39.77 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.1 23.09 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.53 173.76 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' CD ' ' OE1' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -139.71 108.63 6.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.45 124.92 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.651 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 50.3 m-85 -99.09 117.68 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -123.37 148.5 46.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -112.69 138.46 49.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.48 173.13 6.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -84.79 -57.15 3.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.51 -174.87 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.2 tt0 -79.85 -24.08 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -75.07 -63.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -40.45 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -53.32 -62.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.575 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -57.79 -43.34 85.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 17' ' ' ILE . 19.5 m-20 -51.14 -59.86 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.736 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.5 m95 -48.6 -49.23 37.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.031 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 76' ' ' ILE . 93.2 t -56.24 -51.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.69 -49.48 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -60.04 -44.25 94.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 91' ' ' ILE . 27.7 mt -71.35 -13.59 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.99 -20.58 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -96.64 -53.78 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.49 -37.63 50.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' SER . 0.2 OUTLIER -88.41 -20.51 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 38.93 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' SER . 41.0 t 41.51 35.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.98 159.79 26.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 53.97 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p 43.0 77.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.9 p -70.7 -59.53 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 53.88 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.05 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p 56.44 164.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -68.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -90.93 106.48 18.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -58.87 -58.65 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.82 -58.56 3.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.23 90.84 0.94 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -164.07 174.85 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.51 132.3 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -92.42 -165.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 45.89 62.55 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' ASN . 5.3 mt-30 -41.93 -34.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' GLN . 5.4 m120 61.71 124.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.587 ' NE ' HG23 ' A' ' 38' ' ' ILE . 10.7 ttt180 -77.52 148.74 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.794 HD11 ' HB3' ' A' ' 110' ' ' ASP . 16.5 tt -130.43 152.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.11 153.47 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.86 147.56 4.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -74.89 112.05 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 111' ' ' TRP . 81.3 mt -111.52 148.95 32.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.62 96.6 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -89.07 136.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.11 123.79 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -102.03 170.04 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.88 8.55 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.85 -54.1 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -149.33 -146.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -121.55 87.89 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.91 40.15 1.22 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.56 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -120.04 129.12 54.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.12 107.48 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 111.59 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HE ' HG21 ' A' ' 63' ' ' VAL . 2.8 mpt_? -138.71 151.36 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.8 t80 -83.62 109.67 17.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 3.8 m-85 -88.24 152.9 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG23 ' NE ' ' A' ' 16' ' ' ARG . 42.9 mt -147.79 109.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HB1' ' A' ' 114' ' ' ALA . 13.1 tp -75.62 103.48 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -100.89 115.2 29.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 p -82.12 -20.77 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -75.84 -42.58 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -24.07 43.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t30 66.25 29.17 9.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 15.0 m -149.21 158.52 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -101.94 126.99 48.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.791 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.9 mt -125.09 125.07 43.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.584 ' NE1' HG23 ' A' ' 63' ' ' VAL . 17.6 p90 -116.83 125.06 51.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.011 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 m-85 -115.07 152.14 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE3' HG11 ' A' ' 63' ' ' VAL . 2.7 mtt -45.92 -38.43 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.78 169.78 21.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -43.94 144.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -22.01 15.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -70.06 -10.48 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -107.81 -27.95 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.7 -172.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.92 156.1 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' H ' HG12 ' A' ' 58' ' ' VAL . 1.2 p -53.37 -39.66 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.17 35.13 3.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -100.49 177.03 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 0.733 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 -167.45 17.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -113.45 144.66 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE ' ' A' ' 35' ' ' ARG . 15.8 m -67.63 -24.21 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -158.04 167.36 34.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 p -142.44 165.31 27.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -146.48 117.55 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.548 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.8 mm100 -81.18 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -40.55 -39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.705 HG23 ' HD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -41.39 -41.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.705 ' HD1' HG23 ' A' ' 69' ' ' THR . 3.9 m-85 -64.94 -61.33 2.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.0 139.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 -42.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.39 143.96 30.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 115' ' ' LEU . 56.5 t -127.91 97.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -117.32 158.98 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' CD1' HG21 ' A' ' 112' ' ' VAL . 9.4 mm -70.75 122.74 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -40.24 122.66 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -70.76 160.73 81.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.32 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -177.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.51 -63.7 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 16.2 mmmt -146.67 71.77 12.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.03 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 9.7 mttp 80.81 26.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -132.22 114.41 14.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -75.04 105.81 2.15 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.1 m-85 72.11 73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.86 130.68 48.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.268 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.8 p90 -116.49 143.15 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.7 t -105.7 123.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 115' ' ' LEU . 16.6 mt -88.95 104.4 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -82.89 122.03 27.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.98 -142.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.3 mt -38.53 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -156.4 26.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -142.34 108.55 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 100' ' ' LEU . 96.5 m-85 -90.03 116.54 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.648 ' CD1' HG22 ' A' ' 90' ' ' VAL . 26.3 m-85 -90.66 105.52 17.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 98' ' ' TYR . 2.4 mp -114.46 149.63 36.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -118.31 143.34 46.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 107' ' ' ASP . . . -105.55 -172.49 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.06 -62.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -154.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.5 tt0 -90.72 -24.63 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.74 -68.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.479 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 3.1 t0 -41.92 -48.54 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -50.68 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.842 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -54.86 -54.67 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.794 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -45.51 -61.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.719 ' CD2' HD11 ' A' ' 21' ' ' LEU . 25.5 m95 -45.52 -60.57 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.776 HG21 ' CD1' ' A' ' 76' ' ' ILE . 84.4 t -45.72 -52.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.45 -48.95 68.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.707 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.97 -47.42 84.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.893 HD13 HD11 ' A' ' 91' ' ' ILE . 18.0 mt -68.27 -13.25 62.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -90.05 -24.59 21.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -90.88 -59.28 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.09 -29.89 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.9 p -73.45 -47.24 43.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -70.41 -7.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 70.73 -59.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.36 153.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.85 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 160.58 34.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 40.7 p -47.67 106.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -76.29 151.63 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.37 -62.72 0.32 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.73 153.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -161.61 163.84 29.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 57.57 4.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 38.74 86.82 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' C ' HG12 ' A' ' 11' ' ' VAL . 4.7 t80 -176.89 165.05 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 10' ' ' TYR . 2.4 p 41.64 90.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.51 126.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.85 58.28 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -21.18 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.59 -16.31 60.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' NE ' HG23 ' A' ' 38' ' ' ILE . 5.3 ttt180 168.69 120.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 110' ' ' ASP . 1.9 tt -90.34 157.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.75 150.63 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 166.46 -160.01 33.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 36' ' ' TYR . 62.6 m-85 -122.57 132.05 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 111' ' ' TRP . 43.7 mt -131.4 139.0 49.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.33 93.08 7.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 tt -82.38 124.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 33.4 tt0 -73.47 121.05 19.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.12 169.78 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -89.16 14.8 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -58.1 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -142.01 19.32 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.9 85.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.48 1.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.86 138.1 31.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 42.9 m-85 -107.59 131.93 53.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.02 98.14 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 110.41 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' CZ ' ' HE3' ' A' ' 50' ' ' MET . 86.8 mmt-85 -134.37 163.63 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 52' ' ' ASN . 42.0 t80 -96.58 95.11 7.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 48' ' ' TRP . 3.9 m-85 -74.03 150.4 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.48 HG23 ' NE ' ' A' ' 16' ' ' ARG . 10.6 mt -141.98 110.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' CD1' HD23 ' A' ' 115' ' ' LEU . 14.0 tp -74.56 102.61 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.909 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -103.89 113.78 27.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 p -79.77 -38.81 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -59.02 -40.96 86.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.909 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.15 -24.4 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.34 34.12 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 18.0 m -150.75 170.06 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -113.57 127.26 56.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.76 129.99 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -122.93 143.65 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' MET . 3.4 m-85 -132.31 137.38 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.551 ' HE3' ' CZ ' ' A' ' 35' ' ' ARG . 1.8 mtp -37.02 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.36 158.0 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 36' ' ' TYR . 30.8 m-80 -40.61 149.52 0.32 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.34 18.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -21.09 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -96.94 -32.6 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.37 -171.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -101.45 146.32 27.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 p -45.24 -45.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.73 38.0 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -92.37 159.89 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -118.72 -143.86 7.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.71 131.92 40.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' CD1' ' A' ' 48' ' ' TRP . 8.8 p -68.54 -21.34 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -169.89 144.91 8.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 47' ' ' LEU . 68.2 p -131.71 165.22 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -151.96 100.2 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.883 ' HB3' HG22 ' A' ' 69' ' ' THR . 21.1 mp0 -62.01 134.19 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 18.1 mt -65.97 -28.85 69.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.9 t -51.21 -23.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.432 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.612 ' HA ' HD11 ' A' ' 94' ' ' LEU . 22.1 m-85 -86.43 -60.22 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -40.84 141.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.7 t -123.25 -40.96 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -153.61 149.16 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -126.37 98.25 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.6 t -115.24 164.86 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 112' ' ' VAL . 26.9 mm -76.65 129.41 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.999 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -59.2 166.35 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -127.66 171.66 7.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.9 -9.86 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -116.25 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -143.23 84.29 10.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 178.45 7.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.1 OUTLIER 82.18 -4.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.5 p -114.03 116.43 44.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -92.19 74.53 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.47 134.42 47.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 100' ' ' LEU . 31.5 p90 -120.42 145.57 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.999 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -108.03 125.69 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.35 104.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -78.29 121.1 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -125.39 -150.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.654 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.74 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -147.78 34.76 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 37.1 tt0 -130.04 159.26 37.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -129.88 111.51 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 66' ' ' LEU . 21.5 m-85 -90.8 125.05 35.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.627 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.1 m-85 -98.27 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.9 mp -115.04 154.61 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -125.17 142.87 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.42 -167.56 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -100.41 -40.36 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.85 -165.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 tt0 -81.62 -26.77 34.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -72.71 -67.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.65 -30.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.2 tm? -66.08 -67.51 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -51.24 -50.97 58.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.645 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.2 t0 -47.29 -63.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CD2' HD11 ' A' ' 21' ' ' LEU . 19.1 m95 -45.57 -60.04 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 76' ' ' ILE . 88.2 t -46.29 -64.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.83 -48.34 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.29 -46.57 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 74' ' ' VAL . 23.6 mt -68.53 -15.95 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -18.72 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -91.4 -34.04 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -76.06 -21.05 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' LYS . 12.4 p -96.53 -14.24 22.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 36.58 81.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.3 t -89.98 19.77 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.43 42.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.24 3.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.8 p -72.76 136.02 45.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 m -169.37 162.21 10.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -176.22 124.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -137.73 115.46 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 -172.14 14.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -156.76 166.81 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.063 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -69.38 -57.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.62 99.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mtm 39.82 87.35 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.52 172.99 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.4 t -56.19 122.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.44 150.53 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.6 58.79 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -44.76 -33.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 61.99 94.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 11.5 ttp180 61.42 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.4 tt -120.25 139.48 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.8 153.26 50.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.71 144.88 4.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 36' ' ' TYR . 34.5 m-85 -76.34 115.84 16.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 111' ' ' TRP . 39.5 mt -115.96 169.92 8.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.75 93.23 3.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 tt -84.71 127.79 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.32 125.57 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 32.2 t0 -62.75 140.64 58.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.33 -27.7 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.83 49.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 167.24 130.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -104.36 78.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.89 -45.84 0.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 149.48 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' C ' HD23 ' A' ' 33' ' ' LEU . 76.4 m-85 -119.71 155.25 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 32' ' ' PHE . 5.7 mt -107.08 101.76 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.87 124.5 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD2' HG11 ' A' ' 63' ' ' VAL . 79.2 mmt-85 -145.39 161.02 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 17.6 t80 -90.84 95.16 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 9.4 m-85 -80.19 145.34 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 36' ' ' TYR . 80.6 mt -141.38 108.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 17' ' ' ILE . 18.5 tp -73.88 101.62 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -101.62 116.76 33.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 p -80.52 -21.34 41.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -76.73 -38.53 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -31.59 35.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 71.68 23.37 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.6 m -148.37 147.55 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.706 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -91.69 124.11 35.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.706 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -121.61 125.03 45.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CD1' HG13 ' A' ' 63' ' ' VAL . 23.2 p90 -118.93 132.38 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' MET . 44.9 m-85 -116.82 137.38 52.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.43 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 1.8 mtp -36.66 -39.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.38 163.28 34.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 4.3 m-20 -43.7 144.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.16 20.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -79.42 -14.59 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.79 -28.32 11.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.05 -169.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 174.97 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.48 -50.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.89 42.95 3.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.87 168.13 14.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.42 -150.77 8.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.93 132.43 42.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG13 ' CD1' ' A' ' 48' ' ' TRP . 7.8 p -69.83 -10.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.45 144.05 5.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 52.8 p -130.4 162.6 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -148.81 102.8 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.61 115.24 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 52.1 mt -47.77 -26.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.3 p -53.48 -19.76 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' HA ' HD21 ' A' ' 94' ' ' LEU . 5.9 m-85 -88.86 -58.86 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.42 137.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -125.73 -41.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -145.85 143.83 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 HG13 ' A' ' 112' ' ' VAL . 46.1 t -128.37 98.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t -118.17 159.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.507 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.8 mm -70.96 128.94 34.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -57.7 -178.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -138.46 168.88 14.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.07 -7.87 19.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -9.96 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' HE ' ' A' ' 97' ' ' ARG . 38.5 mt-30 -116.74 -63.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -139.63 83.64 16.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -75.0 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.85 20.43 10.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.0 p -141.96 110.03 6.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.43 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.2 m-85 -105.95 71.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.76 124.33 33.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.598 ' HD1' HD23 ' A' ' 108' ' ' LEU . 24.5 p90 -115.49 138.94 50.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.94 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.3 t -98.42 124.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 115' ' ' LEU . 34.4 mt -90.41 104.56 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -82.62 126.55 32.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.87 -141.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.2 mt -38.58 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p -156.01 39.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -135.49 175.49 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HE ' ' NE2' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -143.17 110.8 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -89.97 125.13 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -95.05 108.72 20.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.88 147.73 36.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -117.05 131.43 56.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -98.87 173.44 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.61 -54.14 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.53 -174.67 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 22.3 tt0 -82.29 -26.65 32.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -69.81 -68.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -44.73 -32.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -61.89 -69.6 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.718 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -52.89 -46.1 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 17' ' ' ILE . 24.8 m-20 -47.46 -61.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CE2' HD11 ' A' ' 21' ' ' LEU . 27.2 m95 -45.17 -61.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.821 HG13 HG12 ' A' ' 74' ' ' VAL . 60.0 t -45.18 -56.0 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.3 -52.18 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.674 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -55.59 -45.38 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.661 HD23 HD13 ' A' ' 39' ' ' LEU . 23.3 mt -67.41 -20.27 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.68 -21.46 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' O ' ' CD ' ' A' ' 120' ' ' LYS . 30.5 mt-30 -95.03 -37.78 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -58.55 -19.75 40.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -129.47 1.91 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 117' ' ' GLN . 1.3 mppt? 33.18 75.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.2 m -140.57 17.39 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -133.6 159.91 23.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -32.51 5.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 m 64.83 168.18 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -131.45 81.47 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.75 164.22 36.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -51.81 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.86 -124.48 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.93 120.52 3.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 p -57.22 170.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.18 -45.91 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.478 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -39.58 -52.05 4.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 -171.4 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -84.12 80.0 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG23 HH11 ' A' ' 13' ' ' ARG . 6.9 p -175.35 128.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -157.17 26.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 HG23 ' A' ' 11' ' ' VAL . 2.4 mpp_? -72.98 58.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -91.61 17.6 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 53.91 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -119.82 144.49 47.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 110' ' ' ASP . 4.3 tt -110.95 145.22 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.42 152.6 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.36 163.78 14.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -85.21 121.77 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 111' ' ' TRP . 64.7 mt -113.67 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.25 93.42 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tt -88.19 132.43 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.92 135.66 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -117.25 168.93 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -82.34 0.1 43.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.05 -46.61 22.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -149.12 -146.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 m -133.38 93.44 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.991 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.88 20.78 6.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.18 140.52 49.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -119.82 158.34 26.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.15 113.38 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.03 102.24 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.871 ' HE ' HG11 ' A' ' 63' ' ' VAL . 88.5 mmt-85 -133.5 157.95 44.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.11 95.19 8.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 6.2 m-85 -74.84 145.05 43.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CE2' ' A' ' 49' ' ' TYR . 23.9 mt -138.98 110.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.765 ' CB ' HG22 ' A' ' 17' ' ' ILE . 14.0 tp -75.22 99.9 4.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.06 111.26 23.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -74.91 -42.2 58.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -54.87 -39.15 68.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -85.56 -24.91 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 57.8 t30 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.43 140.36 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -86.66 125.55 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -122.9 124.72 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 15.7 p90 -118.26 125.78 50.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 38' ' ' ILE . 17.8 m-85 -109.06 140.46 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.411 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -36.72 -40.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.73 163.64 32.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -42.21 148.23 0.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 18.1 Cg_endo -75.0 -16.29 20.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -93.88 -31.55 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.59 -166.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.59 174.5 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.14 -50.16 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.91 31.93 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 158.68 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.5 -138.95 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.44 145.09 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.871 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.9 t -72.29 -33.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -171.58 136.76 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 30.8 p -111.83 159.52 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.6 mt -143.2 101.11 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.65 ' HB3' HG22 ' A' ' 69' ' ' THR . 29.8 mm-40 -59.34 118.82 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' A' ' 118' ' ' ALA . 20.7 mt -57.06 -22.49 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 67' ' ' GLN . 10.2 t -58.25 -18.8 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 67' ' ' GLN . 21.0 m-85 -87.44 -56.5 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.9 mp -44.45 139.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -126.93 -42.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -143.65 143.81 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 115' ' ' LEU . 47.4 t -128.32 97.69 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -110.51 161.83 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 108' ' ' LEU . 17.0 mm -73.7 132.38 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -72.6 148.28 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.23 173.37 2.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.03 1.12 8.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.35 -2.92 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 mt-30 -120.93 -58.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.518 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 2.9 mmtm -148.59 81.49 7.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.0 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 90.47 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 88' ' ' CYS . 10.0 t -133.2 136.28 27.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.98 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.3 m-85 -83.34 80.42 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.189 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.576 ' HB3' HG23 ' A' ' 85' ' ' THR . 1.6 p -131.73 128.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 108.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.631 ' CB ' HG22 ' A' ' 112' ' ' VAL . 23.2 p90 -116.18 140.82 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' HB2' ' A' ' 77' ' ' ALA . 1.8 t -108.36 120.21 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 115' ' ' LEU . 25.9 mt -84.06 104.66 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -82.0 121.02 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -118.66 -147.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.635 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -37.35 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.0 m -145.83 23.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.11 175.12 5.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -145.12 112.92 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -92.92 126.51 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.9 m-85 -101.8 107.99 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.8 mp -116.02 155.88 27.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.574 ' HG3' HG21 ' A' ' 85' ' ' THR . 0.5 OUTLIER -120.83 137.74 54.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.27 -171.87 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.45 -53.67 3.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -127.13 -166.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 12.7 tt0 -78.82 -24.19 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -70.49 -65.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.62 -45.79 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -52.55 -70.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.802 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.96 -52.93 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.784 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -47.37 -62.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.666 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 m95 -46.2 -56.59 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 108' ' ' LEU . 42.1 t -49.67 -64.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.98 -49.62 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.89 -46.59 84.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 91' ' ' ILE . 21.7 mt -70.38 -14.02 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER -91.62 -17.75 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -91.01 -60.67 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -53.6 -35.54 60.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -61.27 -44.31 97.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -81.45 0.85 35.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 m -121.05 31.12 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.02 -145.09 13.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.74 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.93 -55.6 28.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.14 -55.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.09 126.18 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -176.19 117.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 96.96 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -146.82 146.51 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.82 174.35 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -73.35 0.66 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.9 mtp -78.03 -51.47 1.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.4 Cg_endo -75.03 156.67 42.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -151.46 176.76 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.8 t 62.0 121.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 121.39 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -80.6 57.9 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.29 34.37 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 41' ' ' THR . 64.8 m-80 -69.33 71.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.709 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.6 tt -121.55 162.87 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -146.63 149.58 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.48 161.85 13.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 94.5 m-85 -94.39 125.21 38.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 0.715 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 ' CD1' ' A' ' 111' ' ' TRP . 27.0 mt -120.92 166.47 13.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -118.88 93.34 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 tt -86.56 144.1 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -81.73 127.13 32.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -104.52 170.61 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -88.85 13.99 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.84 -53.69 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -144.05 -146.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.42 94.25 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.43 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.59 146.84 49.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 16.7 m-85 -128.62 155.81 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -106.66 119.22 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -77.39 116.27 17.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HE ' HG11 ' A' ' 63' ' ' VAL . 89.9 mmt-85 -137.63 163.78 30.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 24.8 t80 -98.29 98.59 9.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.1 m-85 -79.13 146.07 33.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' NH1' ' A' ' 16' ' ' ARG . 39.5 mt -140.36 115.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.709 ' CB ' HG22 ' A' ' 17' ' ' ILE . 9.3 tp -81.9 102.33 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -102.24 111.28 23.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 7.2 p -76.26 -20.84 57.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -76.16 -40.52 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.8 -26.13 37.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 68' ' ' LEU . 21.1 t30 66.95 25.84 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.4 m -145.75 156.34 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -102.43 125.89 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -125.18 130.48 52.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.461 ' HE3' HD12 ' A' ' 46' ' ' LEU . 25.0 p90 -118.14 123.68 46.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HA ' HG23 ' A' ' 63' ' ' VAL . 38.2 m-85 -108.2 137.54 46.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.435 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -39.96 -38.34 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.72 167.74 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -42.75 137.62 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.65 16.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -11.2 60.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -108.61 -22.14 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.18 -172.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -115.28 153.59 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 59' ' ' GLY . 3.1 p -48.67 -56.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.526 ' H ' HG13 ' A' ' 58' ' ' VAL . . . -49.86 -25.65 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -58.22 175.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -150.52 -153.13 6.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.37 148.69 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HE ' ' A' ' 35' ' ' ARG . 2.0 t -68.46 -30.69 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -153.15 -153.68 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 77.4 p -179.19 142.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 71' ' ' ILE . 1.5 mt -138.25 96.35 3.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.857 ' HB3' HG22 ' A' ' 69' ' ' THR . 2.3 mt-30 -62.27 129.1 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' ASN . 81.1 mt -60.46 -30.3 69.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' ' 67' ' ' GLN . 4.5 t -49.84 -23.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 19.8 m-85 -87.04 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.8 mp -39.87 135.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 m -120.31 -38.79 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.25 148.09 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' LEU . 38.5 t -129.82 98.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.2 t -114.08 158.46 21.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 108' ' ' LEU . 17.9 mm -65.89 134.85 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -67.88 152.66 45.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 6.8 p -105.51 168.94 7.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.4 Cg_endo -74.97 -28.17 9.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.443 1.759 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.16 -13.78 62.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 25.5 mt-30 -106.37 -53.16 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 4.2 mmtm -151.08 84.22 5.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.82 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.72 4.48 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 101' ' ' GLN . 37.9 p -129.73 111.36 17.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -74.98 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -106.51 76.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.9 p -125.68 139.04 53.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CB ' HG22 ' A' ' 112' ' ' VAL . 19.0 p90 -125.83 138.94 53.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.2 t -105.75 121.29 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.665 HD11 HD13 ' A' ' 115' ' ' LEU . 24.1 mt -85.92 105.05 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.83 125.7 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -126.98 -142.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.88 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.09 41.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -137.46 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 110.06 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -83.38 124.97 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.61 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.2 m-85 -96.36 112.27 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.6 mp -122.66 152.66 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' CD ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -122.73 134.59 54.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -96.46 -175.22 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -99.27 -52.16 3.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.6 -175.0 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.0 tt0 -79.05 -24.43 43.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -43.95 -37.53 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER -64.22 -70.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.882 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -46.13 -57.94 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.582 ' HB3' HD11 ' A' ' 17' ' ' ILE . 3.9 m-20 -42.48 -64.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.767 ' CD1' HD21 ' A' ' 21' ' ' LEU . 19.1 m95 -43.63 -61.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.684 HG22 ' CB ' ' A' ' 89' ' ' PHE . 88.4 t -43.63 -66.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -47.17 -51.01 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -55.5 -43.94 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 91' ' ' ILE . 13.1 mt -71.95 -18.71 61.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.84 -15.71 38.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -99.17 -43.59 6.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -62.37 -32.52 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -1.69 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.25 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -87.58 35.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 146.35 176.56 20.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.71 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -75.18 123.21 24.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.5 t -168.72 98.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -141.97 150.52 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -170.84 147.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.53 76.66 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 145.17 30.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -72.33 108.17 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.78 2.55 33.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.642 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 3.5 ttp -68.22 -41.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.06 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 9' ' ' PRO . 58.8 m-85 -153.96 -173.09 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' VAL . 4.0 p -55.2 118.4 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 178.43 143.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.36 56.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -104.28 35.61 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 41' ' ' THR . 77.5 m-20 -66.49 -12.07 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.46 110.92 6.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 110' ' ' ASP . 6.2 tt -106.61 139.14 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.45 154.61 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.99 146.09 4.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -74.07 112.79 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 111' ' ' TRP . 59.4 mt -109.17 169.08 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.4 92.98 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 tt -89.05 124.71 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 37.0 tt0 -62.81 116.08 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 54.8 t0 -80.08 140.26 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 10.3 t-20 -64.72 -13.4 54.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.97 -41.38 97.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 70.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.0 -36.84 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -100.04 140.89 33.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 38.8 m-85 -107.36 149.9 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.84 120.92 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 106.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -128.04 136.62 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.798 ' HE2' HD11 ' A' ' 38' ' ' ILE . 56.0 t80 -85.12 95.52 9.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.28 151.4 33.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 36' ' ' TYR . 28.6 mt -144.0 110.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' CD1' HD23 ' A' ' 115' ' ' LEU . 11.5 tp -74.17 94.88 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -94.87 111.8 23.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 15' ' ' ASN . 10.7 p -78.04 -38.99 43.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -58.37 -41.72 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -80.03 -22.04 42.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' ASN . 26.7 t30 62.78 32.89 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 57.4 m -150.01 171.55 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -111.98 125.66 54.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.5 mt -123.86 123.06 39.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.632 ' HE1' HG23 ' A' ' 63' ' ' VAL . 11.1 p90 -117.91 127.59 54.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CE1' HD12 ' A' ' 38' ' ' ILE . 2.0 m-85 -115.26 148.95 38.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 63' ' ' VAL . 1.8 mtt -47.47 -33.01 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.55 166.41 32.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 2.8 m120 -46.71 148.2 1.87 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.07 19.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -80.26 -14.15 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -106.74 -28.84 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.61 -170.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.69 171.97 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.49 -49.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.51 43.49 3.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.41 -177.15 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -164.17 12.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 143.08 45.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' HE1' ' A' ' 48' ' ' TRP . 28.4 m -68.7 -17.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.536 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -167.0 163.81 37.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 51.1 p -137.98 162.08 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 71' ' ' ILE . 1.3 mt -146.19 99.67 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.808 ' HB3' HG22 ' A' ' 69' ' ' THR . 39.9 mm-40 -63.59 127.09 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 36.5 mt -59.75 -23.93 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' HB3' ' A' ' 67' ' ' GLN . 2.4 t -55.65 -26.24 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.556 ' HA ' HD21 ' A' ' 94' ' ' LEU . 25.4 m-85 -81.89 -58.39 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.8 mp -50.83 134.04 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.25 -40.01 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -148.08 149.39 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.4 t -129.14 98.07 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 t -112.07 163.77 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.761 HD11 HG21 ' A' ' 112' ' ' VAL . 18.1 mm -76.09 126.75 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.036 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -55.49 126.0 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -85.85 170.58 12.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -14.11 25.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.75 -53.27 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' CG ' ' A' ' 99' ' ' PHE . 11.7 mmmt -145.22 81.55 10.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.4 2.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 75.71 -57.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -57.35 119.54 32.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -92.04 75.48 5.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.16 130.19 42.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 108.316 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CB ' HG22 ' A' ' 112' ' ' VAL . 38.2 p90 -117.16 146.91 42.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.036 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.5 t -110.4 126.62 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.49 105.06 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.27 121.2 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.55 -153.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.0 mt -40.32 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -152.88 41.05 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.572 ' CD ' ' CE1' ' A' ' 98' ' ' TYR . 35.6 tt0 -136.53 158.99 43.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -132.5 108.65 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.572 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 28.8 m-85 -88.11 122.98 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.2 m-85 -96.65 102.24 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.1 mp -108.88 152.25 25.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.93 131.53 54.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 -176.22 4.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.13 -48.7 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.17 -152.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 26.4 tt0 -92.36 -29.38 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -68.27 -67.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.04 -33.81 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -59.86 -70.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -50.93 -56.19 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.776 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -38.17 -57.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.4 m95 -54.39 -60.91 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 76' ' ' ILE . 62.3 t -42.74 -54.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' ASN . 6.3 mm-40 -56.12 -63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -45.67 -47.34 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' ' 74' ' ' VAL . 10.8 mt -65.09 -32.37 74.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -73.26 -16.53 61.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -95.44 -42.34 8.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -63.84 -28.12 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -59.58 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -14.65 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' GLY . 75.2 m 39.12 37.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . . . -37.32 156.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.32 12.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 t -124.33 -58.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.4 p -40.77 125.47 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.07 -60.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -39.89 129.87 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 167.96 17.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -104.44 157.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -70.18 111.87 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -122.1 97.18 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.19 -52.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.02 148.34 35.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' VAL . 0.5 OUTLIER 56.91 159.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.3 p 40.37 90.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -176.49 174.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -86.77 58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -90.96 27.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 41' ' ' THR . 0.4 OUTLIER -170.12 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 ttm180 -71.26 121.92 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.787 HG22 ' HB3' ' A' ' 39' ' ' LEU . 7.6 tt -110.91 154.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 7.9 p -146.57 161.19 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.36 156.13 7.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -84.0 114.43 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 111' ' ' TRP . 25.7 mt -115.97 139.32 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.3 93.05 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 tt -83.55 138.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.19 121.02 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 27.9 t70 -101.39 170.78 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -89.17 8.21 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' OD2' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -53.14 -50.23 64.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -142.58 -146.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -135.62 97.68 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 18.02 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.92 143.32 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 7.1 m-85 -122.33 155.73 35.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 35' ' ' ARG . 5.8 mt -105.87 108.84 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.67 114.65 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 83.1 mmt-85 -140.36 159.61 41.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' A' ' 38' ' ' ILE . 47.6 t80 -89.78 94.9 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -77.09 147.45 36.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 36' ' ' TYR . 85.8 mt -140.27 106.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.096 HD13 HD23 ' A' ' 115' ' ' LEU . 2.7 tp -85.72 102.59 13.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 16' ' ' ARG . 15.5 t0 -104.65 144.91 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 15' ' ' ASN . 1.5 p -89.81 -38.84 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.92 -29.45 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.648 ' HA ' HD12 ' A' ' 68' ' ' LEU . 26.6 t30 62.96 37.09 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 6.0 m -148.69 141.83 24.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.74 123.24 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.6 mt -122.65 130.32 52.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE2' ' HA3' ' A' ' 64' ' ' GLY . 22.3 p90 -127.3 143.58 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m-85 -135.78 143.98 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -39.39 -37.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.14 158.32 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 9.0 m-80 -42.2 149.85 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -19.64 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -15.53 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -103.4 -30.66 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.11 -169.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.25 176.22 6.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.03 -49.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.32 3.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.94 165.74 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.99 -149.45 9.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -135.2 132.03 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 48' ' ' TRP . 10.8 p -65.48 -15.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.535 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -179.19 140.0 4.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.554 ' HB3' HD23 ' A' ' 47' ' ' LEU . 12.4 p -127.5 169.97 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -148.9 136.7 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 3.7 mm100 -91.82 118.62 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 44' ' ' ASN . 76.2 mt -55.95 -24.86 40.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -61.11 -27.87 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HA ' HD11 ' A' ' 94' ' ' LEU . 8.5 m-30 -77.16 -49.68 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 91' ' ' ILE . 3.0 mp -54.85 136.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.4 p -116.85 -34.07 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -159.18 149.1 18.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.517 HG12 HG13 ' A' ' 112' ' ' VAL . 33.0 t -129.08 98.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 t -112.39 172.25 7.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.6 mm -82.3 129.24 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.945 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -68.08 129.15 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -85.3 171.18 11.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.65 12.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -10.65 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -113.45 -53.53 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' ' OG1' ' A' ' 85' ' ' THR . 7.2 mmtt -146.71 82.33 8.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 18.2 Cg_endo -75.07 175.93 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 1.0 OUTLIER 82.1 -3.83 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 12.0 p -118.28 113.71 36.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -94.2 76.95 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 133.33 44.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.359 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CB ' HG22 ' A' ' 112' ' ' VAL . 14.9 p90 -121.37 146.41 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.945 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.2 t -108.92 127.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 115' ' ' LEU . 28.0 mt -90.15 105.13 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.6 126.14 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.46 -143.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.649 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.05 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 p -149.03 20.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 39.7 tt0 -118.02 158.08 25.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -128.55 116.93 20.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.34 122.51 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 90' ' ' VAL . 56.4 m-85 -98.13 105.84 18.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.1 mp -112.43 155.45 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 36.8 tt0 -120.79 136.15 54.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.12 -166.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -101.92 -49.63 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.06 -153.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 29.3 tt0 -97.28 -22.95 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -74.11 -63.82 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.65 -36.7 16.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -58.24 -67.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.56 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -52.66 -58.05 8.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.1 t0 -42.04 -58.61 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.551 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 21.6 m95 -46.91 -63.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 76' ' ' ILE . 49.4 t -45.68 -64.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.71 -50.6 9.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.69 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -58.99 -49.21 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.096 HD23 HD13 ' A' ' 39' ' ' LEU . 18.3 mt -68.09 -11.63 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.627 ' ND2' HG12 ' A' ' 112' ' ' VAL . 6.0 m-80 -94.41 -18.91 21.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -98.67 -59.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.771 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -47.28 -33.14 5.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.86 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -1.74 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 24.9 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.05 -145.44 18.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.44 3.62 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.9 p -152.5 110.65 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.9 p -161.69 169.7 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -120.49 -58.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 81.21 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.94 120.84 2.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.33 133.58 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -151.43 -53.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.964 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.2 66.38 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.87 87.68 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -130.84 41.48 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.57 151.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 173.68 173.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -80.94 65.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -91.39 33.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.66 -145.45 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' NE ' ' CG2' ' A' ' 38' ' ' ILE . 1.3 ttt180 -165.44 119.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 110' ' ' ASP . 1.1 tt -82.64 156.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -144.33 153.88 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.72 165.06 14.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 47.1 m-85 -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 111' ' ' TRP . 85.7 mt -125.69 144.39 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -96.33 93.23 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 tt -86.67 130.57 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.34 118.61 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.6 p-10 -75.41 143.49 42.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -79.68 -12.68 59.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -10.76 59.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' GLY . 11.5 m-80 -167.51 100.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.08 70.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . -179.41 -39.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -98.16 151.46 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.08 142.23 50.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' NH2' ' A' ' 35' ' ' ARG . 4.4 mt -85.31 99.02 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 35' ' ' ARG . 2.0 tpt180 -63.52 111.92 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 83.2 mmt-85 -139.78 167.55 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 1.018 ' CE2' HD11 ' A' ' 38' ' ' ILE . 19.0 t80 -96.1 98.76 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 6.0 m-85 -80.26 141.36 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.018 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.5 mt -138.52 123.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' CD1' HD23 ' A' ' 46' ' ' LEU . 12.9 tp -84.08 102.22 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -100.28 116.51 32.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -82.59 -30.44 29.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.0 -43.57 92.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.63 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 68' ' ' LEU . 39.7 t30 75.22 28.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 13.5 m -149.77 151.93 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.73 126.73 39.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -125.06 131.57 53.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 18.3 p90 -122.37 125.15 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.624 ' HA ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-85 -114.49 141.5 47.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' TYR . 3.0 mtp -37.83 -40.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -147.63 171.81 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 7.7 m120 -46.81 142.13 5.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.97 11.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -106.54 -24.99 12.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.88 -171.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.31 177.67 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.3 p -76.87 -39.65 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.43 28.66 6.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.96 -177.28 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.41 -162.97 11.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -113.17 150.41 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t -70.61 -30.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -161.88 153.08 23.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 p -127.95 144.51 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -130.35 129.45 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 71' ' ' ILE . 85.3 mm-40 -83.57 139.01 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 44' ' ' ASN . 33.7 mt -74.75 -40.36 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 p -45.74 -27.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.602 ' HA ' HD11 ' A' ' 94' ' ' LEU . 9.4 m-30 -76.39 -60.73 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 71' ' ' ILE . 4.4 mp -48.81 133.41 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -118.22 -41.69 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 147.85 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 115' ' ' LEU . 46.9 t -127.02 97.74 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -113.58 158.22 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.6 mt -71.55 139.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -62.26 130.37 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.3 p -76.42 158.68 81.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.66 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -172.98 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 7.8 mmtt -149.83 73.62 9.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.94 15.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 80.52 27.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.7 p -133.66 110.19 12.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.579 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -74.97 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.006 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.4 m-85 72.64 69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 135.99 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CB ' HG22 ' A' ' 112' ' ' VAL . 6.4 p90 -121.73 148.67 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.9 t -110.25 123.59 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.428 HD11 HD13 ' A' ' 115' ' ' LEU . 22.9 mt -86.81 105.77 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.66 122.69 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.76 -143.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.646 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -39.27 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.08 39.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -139.27 159.53 41.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -130.04 111.54 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 100' ' ' LEU . 8.2 m-85 -87.17 126.89 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 90' ' ' VAL . 20.4 m-85 -95.89 105.62 17.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 mp -116.52 146.89 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' LEU . 4.7 tt0 -114.66 151.34 33.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.52 -170.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -96.9 -53.31 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -122.9 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.9 tt0 -75.83 -23.14 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.65 -66.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.33 -39.71 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -57.98 -71.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.75 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -47.32 -60.06 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.694 ' HB3' HD11 ' A' ' 17' ' ' ILE . 5.3 m-20 -40.88 -58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.475 ' CD2' HD11 ' A' ' 21' ' ' LEU . 20.3 m95 -48.69 -61.47 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.8 t -45.71 -42.79 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.08 -50.29 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.65 -41.48 81.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.6 mt -72.79 -16.82 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.56 -17.14 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' LYS . 4.2 mm-40 -97.89 -56.07 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.27 -36.69 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -87.51 12.14 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.5 t -39.65 -34.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.61 155.26 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.2 m -46.16 -54.69 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -114.43 145.11 42.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m 61.25 164.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.22 81.26 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -166.59 82.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 60.66 150.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.09 -79.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.65 65.65 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.22 33.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 54.46 166.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.12 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.69 161.21 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.05 58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -46.9 -33.24 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.12 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 103.01 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.11 145.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -151.35 150.28 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 179.65 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.93 127.26 42.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 111' ' ' TRP . 80.6 mt -131.49 138.89 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.67 93.21 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tt -86.03 130.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 21.5 tt0 -68.55 123.84 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.57 135.25 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -15.14 33.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.05 102.69 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 69.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.97 -41.63 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 158.52 16.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 24' ' ' GLU . 39.6 m-85 -127.92 136.69 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -83.65 114.03 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 110.81 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' CZ ' ' CE ' ' A' ' 50' ' ' MET . 86.2 mmt-85 -136.0 155.7 49.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.495 ' CE1' ' OD1' ' A' ' 52' ' ' ASN . 27.7 t80 -94.74 95.47 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.6 m-85 -73.63 147.41 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.79 106.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.8 tp -74.16 96.36 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 113.7 25.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 41' ' ' THR . 4.4 p -79.03 -17.83 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -81.12 -47.29 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.13 61.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.25 29.4 18.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.7 m -149.11 153.24 37.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -93.98 127.08 39.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -128.27 131.96 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.777 ' O ' HG12 ' A' ' 63' ' ' VAL . 20.1 p90 -124.67 127.83 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 108.027 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 11.3 m-85 -111.78 137.92 49.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.489 ' CE ' ' CZ ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -37.23 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 m-20 -153.8 162.84 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 10.1 m-80 -41.29 147.67 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.95 19.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -64.83 -23.36 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -97.48 -29.5 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -71.21 -168.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.83 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.9 -52.11 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.13 7.14 64.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.74 150.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.46 -135.59 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.16 133.72 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 48' ' ' TRP . 13.4 p -67.81 -13.06 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -173.8 146.99 9.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p -134.74 151.34 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 1.9 mt -145.42 95.37 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -59.01 132.77 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 71' ' ' ILE . 29.8 mt -62.51 -25.9 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.9 p -51.75 -22.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' HA ' HD21 ' A' ' 94' ' ' LEU . 6.4 m-85 -85.9 -61.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 68' ' ' LEU . 3.0 mp -41.41 127.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -113.2 -28.56 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -162.0 149.62 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 115' ' ' LEU . 34.9 t -132.69 98.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 t -113.76 162.28 16.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 112' ' ' VAL . 24.9 mm -69.31 135.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.987 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -70.48 140.1 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -101.35 171.6 5.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.8 14.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -10.99 43.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -116.96 -59.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 9.4 mmtt -141.67 82.97 13.48 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 66.67 20.58 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 82' ' ' LYS . 24.5 p -135.38 115.19 11.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -87.8 74.08 9.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.4 136.92 48.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 100' ' ' LEU . 51.2 p90 -125.67 146.28 49.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.987 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.9 t -105.2 129.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 115' ' ' LEU . 43.2 mt -92.2 105.15 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -82.43 120.53 25.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -121.57 -149.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.7 mt -40.09 -67.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.2 t -157.5 37.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.557 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 36.8 tt0 -133.43 158.07 43.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -128.11 109.06 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 60.8 m-85 -93.13 122.94 36.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 90' ' ' VAL . 35.9 m-85 -94.78 121.81 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 89' ' ' PHE . 2.2 mp -124.86 155.6 39.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -121.93 131.24 53.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.72 -173.28 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -96.68 -49.1 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.85 -152.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.1 tt0 -96.48 -25.06 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -73.56 -68.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -45.9 -27.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.643 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -63.31 -70.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HD13 ' A' ' 108' ' ' LEU . 5.6 mttm -51.81 -52.32 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.2 m-20 -41.6 -58.93 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.828 ' CE2' HD11 ' A' ' 21' ' ' LEU . 13.9 m95 -50.56 -53.73 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 89' ' ' PHE . 95.4 t -51.46 -58.43 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.05 -48.82 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -59.18 -47.18 86.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.1 mt -67.16 -17.77 64.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.84 -16.83 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 121' ' ' SER . 9.6 mt-30 -99.42 -54.84 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.09 22.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -40.64 61.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 122' ' ' GLY . 0.1 OUTLIER -76.62 -2.11 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 117' ' ' GLN . 31.8 t -43.56 -27.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 120' ' ' LYS . . . -146.11 155.74 26.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.18 84.35 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.6 p 43.2 77.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m 62.28 114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -134.78 162.07 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.58 -129.21 5.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -130.11 155.67 45.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 178.17 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.97 -63.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.23 65.87 2.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG3' ' CB ' ' A' ' 6' ' ' SER . 18.2 Cg_endo -75.0 154.74 42.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.08 162.86 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 78.5 t 64.35 57.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p30 178.46 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.04 56.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 1.9 pm0 -41.14 -32.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 90.3 m-20 56.26 96.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.83 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -100.4 150.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' N ' HD13 ' A' ' 17' ' ' ILE . 26.7 p -144.31 163.13 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.91 169.74 22.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.8 m-85 -88.81 122.4 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 111' ' ' TRP . 66.6 mt -124.13 136.65 54.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 93.28 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -85.03 122.17 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -59.32 131.86 52.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' CG ' ' A' ' 27' ' ' GLU . 38.8 t70 -113.15 171.51 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASN . 50.1 t-20 -82.22 4.84 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 2.4 mm-40 -65.65 72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 6.7 m-20 84.82 17.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ASN . 26.0 m 38.51 85.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.3 -36.26 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 126.43 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 78.1 m-85 -95.94 147.14 23.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.02 103.68 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -64.78 120.41 12.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.719 ' HE ' HG11 ' A' ' 63' ' ' VAL . 1.3 mpt_? -145.6 150.24 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -83.63 103.13 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CE2' ' CD2' ' A' ' 100' ' ' LEU . 4.2 m-85 -81.78 144.51 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.73 106.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD23 ' HB1' ' A' ' 114' ' ' ALA . 14.6 tp -75.83 97.26 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -98.25 115.61 28.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 41' ' ' THR . 4.5 p -78.47 -41.89 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -56.84 -42.45 79.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -80.09 -26.09 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 68' ' ' LEU . 42.4 t30 61.24 33.05 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.99 140.02 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.21 126.89 33.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -127.66 121.78 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.522 ' HE3' HD12 ' A' ' 46' ' ' LEU . 21.0 p90 -115.46 134.99 54.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 5.9 m-85 -111.79 144.36 41.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.477 ' HE2' ' CZ ' ' A' ' 35' ' ' ARG . 3.7 mtp -39.27 -45.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.57 176.91 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -45.81 129.63 6.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.6 Cg_endo -74.9 -18.31 19.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.3 -21.18 63.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -102.32 -25.04 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 15.8 mt -63.07 -172.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -92.69 148.59 21.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.67 27.45 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -75.83 -176.64 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.624 ' O ' ' CD2' ' A' ' 49' ' ' TYR . . . -160.92 -172.99 28.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -97.6 134.71 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG11 ' HE ' ' A' ' 35' ' ' ARG . 14.5 p -74.1 -9.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -166.74 163.26 36.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.512 ' HB2' HD23 ' A' ' 47' ' ' LEU . 93.3 p -152.38 154.51 35.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.6 mt -144.36 112.62 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -69.89 121.32 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 44' ' ' ASN . 65.9 mt -53.33 -31.79 45.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.32 -31.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' A' ' 94' ' ' LEU . 3.1 m-85 -79.41 -58.62 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 2.8 mp -44.5 137.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -124.56 -43.08 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -145.91 149.03 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 115' ' ' LEU . 41.0 t -127.86 98.19 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 t -114.8 164.69 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.636 HD11 HG21 ' A' ' 112' ' ' VAL . 26.5 mm -74.82 128.89 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.934 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -51.55 170.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 59.6 p -123.83 164.18 30.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -7.3 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -112.93 -57.67 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 5.1 mmtt -150.84 82.57 5.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.23 18.42 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 83' ' ' PRO . 71.6 p -133.31 116.99 14.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -97.94 75.98 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -129.68 136.56 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CB ' HG22 ' A' ' 112' ' ' VAL . 30.0 p90 -124.51 146.08 49.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.934 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.0 t -108.07 124.18 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CG2' HG12 ' A' ' 71' ' ' ILE . 22.2 mt -85.33 105.36 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.14 125.06 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.62 -141.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -39.33 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.4 m -150.55 30.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.35 175.16 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -144.44 110.46 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -86.89 126.21 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CD1' HG22 ' A' ' 90' ' ' VAL . 17.2 m-85 -95.75 113.65 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 2.8 mp -122.24 157.66 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -122.67 136.6 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.56 -176.94 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.237 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -90.01 -53.12 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.19 -154.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 30.4 tt0 -90.85 -24.7 20.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.22 -67.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.6 -40.88 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -55.35 -62.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -59.05 -53.42 58.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -45.93 -52.19 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.617 ' CD2' HD11 ' A' ' 21' ' ' LEU . 31.9 m95 -58.21 -61.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 108' ' ' LEU . 96.8 t -42.7 -51.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.91 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.42 -45.74 84.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 74' ' ' VAL . 21.8 mt -67.43 -18.98 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.81 -16.73 29.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -98.46 -49.43 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.31 -35.28 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -99.06 -16.1 18.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER 38.67 30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 119' ' ' SER . 2.7 t 82.33 -51.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.976 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 122.16 -167.77 14.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.24 3.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.6 t 179.48 137.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.2 t -71.08 -59.68 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -117.03 152.63 34.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.956 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.06 137.94 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.2 158.98 9.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -136.35 -63.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -130.14 150.21 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 -50.45 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -79.29 -52.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 8' ' ' MET . 18.2 Cg_endo -75.03 167.11 27.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.6 m-85 37.22 86.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -175.89 124.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.31 26.93 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 50.55 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -89.34 37.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.927 ' HB3' HG21 ' A' ' 41' ' ' THR . 14.8 m120 -53.21 -20.87 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 112.04 24.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 39' ' ' LEU . 2.2 tt -105.5 154.35 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -151.3 156.37 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.96 178.82 27.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.89 133.5 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.1 mt -127.87 170.21 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.64 94.42 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 tt -93.28 127.51 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.18 139.07 58.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -147.53 147.06 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.9 90.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.09 -65.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -130.23 15.54 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 76.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 33.74 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 151.01 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' C ' HD23 ' A' ' 33' ' ' LEU . 79.0 m-85 -115.3 142.42 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.5 mt -92.6 119.02 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -85.59 103.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.852 ' HE ' HG11 ' A' ' 63' ' ' VAL . 80.8 mmt-85 -133.22 171.26 14.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -103.06 96.14 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 5.2 m-85 -78.67 140.49 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.0 mt -137.19 106.75 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.91 ' HB3' HG22 ' A' ' 17' ' ' ILE . 12.0 tp -74.45 102.96 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.32 116.04 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.927 HG21 ' HB3' ' A' ' 15' ' ' ASN . 12.0 p -80.89 -14.2 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -81.63 -47.21 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.95 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 t30 71.89 26.09 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 67' ' ' GLN . 3.8 m -146.68 151.07 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -97.88 127.42 43.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -127.52 131.66 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 64' ' ' GLY . 19.4 p90 -122.13 124.15 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 107.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' HG23 ' A' ' 63' ' ' VAL . 16.4 m-85 -106.81 137.77 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -36.42 -38.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.82 167.54 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 6.5 p-10 -45.69 149.86 1.04 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.86 21.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -68.75 -31.63 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -30.05 21.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.5 -169.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.19 -179.68 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.54 124.22 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 9.84 84.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.17 166.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.64 -144.11 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.82 147.96 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG11 ' HE ' ' A' ' 35' ' ' ARG . 1.7 t -71.5 -31.49 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -172.03 139.51 5.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 31.0 p -115.12 156.08 25.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.49 99.06 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.3 mm-40 -65.64 118.86 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -45.49 -30.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 p -43.06 -43.33 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.731 ' HA ' HD21 ' A' ' 94' ' ' LEU . 39.6 m-85 -68.8 -60.81 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.8 mp -45.35 138.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -125.06 -45.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -143.73 147.2 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 115' ' ' LEU . 43.7 t -125.74 98.67 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -115.51 160.07 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HG21 ' A' ' 112' ' ' VAL . 22.4 mm -73.34 124.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -41.4 128.69 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 1.5 p -84.59 165.45 37.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.02 69.28 5.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.7 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.65 -68.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 6.3 mmmt -155.5 62.62 3.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.2 Cg_endo -74.98 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 82.79 20.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 42.7 p -128.01 125.79 23.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.574 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.08 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 86' ' ' PRO . 1.9 m-85 71.36 73.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.31 128.95 45.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 100' ' ' LEU . 38.7 p90 -116.25 148.52 40.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.71 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -110.59 126.13 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 71' ' ' ILE . 32.8 mt -88.92 105.29 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -81.58 121.67 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -124.02 -148.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD21 ' HA ' ' A' ' 70' ' ' TYR . 5.5 mt -39.71 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -153.21 29.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 38.3 tt0 -125.23 158.84 33.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -129.24 113.17 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 100' ' ' LEU . 14.5 m-85 -92.77 120.62 33.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.4 m-85 -94.45 106.95 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 mp -111.85 156.92 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -124.48 129.82 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -93.22 179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.65 -56.98 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.2 -152.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 13.3 tt0 -93.3 -24.16 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -69.79 -67.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -45.07 -42.08 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -55.57 -70.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -49.36 -54.72 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.8 m-20 -46.29 -61.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 37' ' ' PHE . 17.3 m95 -46.37 -54.17 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 76' ' ' ILE . 61.4 t -52.54 -54.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.38 -50.3 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -57.48 -46.06 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.796 ' HB3' HG21 ' A' ' 74' ' ' VAL . 20.2 mt -70.68 -18.11 62.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -86.73 -17.55 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 121' ' ' SER . 2.7 mt-30 -94.27 -58.64 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.2 -43.75 32.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -47.34 84.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 11.5 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 117' ' ' GLN . 12.1 t 53.72 30.74 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 129.63 -171.66 20.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.03 4.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.47 164.96 26.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -91.87 -58.54 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.86 168.0 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.68 142.06 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 144.78 4.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -128.54 -57.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.971 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -102.12 170.39 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -105.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ttt -133.07 87.52 39.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 0.78 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.87 9.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.753 ' O ' HG12 ' A' ' 11' ' ' VAL . 51.3 m-85 -116.42 130.2 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 10' ' ' TYR . 6.3 p 50.72 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 11' ' ' VAL . 78.2 m-20 57.25 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 62.99 58.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 2.2 mt-30 -91.16 28.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 10.4 m-20 82.72 -5.66 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' CD ' HG23 ' A' ' 38' ' ' ILE . 2.0 ttt180 -121.36 143.81 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.69 HD11 ' HB3' ' A' ' 110' ' ' ASP . 15.7 tt -129.28 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 23.6 p -130.2 158.92 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.92 159.4 9.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -89.31 112.42 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 111' ' ' TRP . 69.4 mt -111.58 153.61 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.54 92.87 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 tt -83.25 124.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.33 121.63 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.12 154.59 33.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -88.37 -6.48 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -17.84 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' GLY . 41.1 m-80 -155.48 115.36 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -69.86 64.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASN . . . 168.43 -33.07 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -79.98 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' HD23 ' A' ' 33' ' ' LEU . 71.1 m-85 -124.26 153.34 41.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 32' ' ' PHE . 3.6 mt -107.43 107.96 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -66.8 113.07 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HD2' HG21 ' A' ' 63' ' ' VAL . 79.7 mmt-85 -142.74 155.51 44.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 52' ' ' ASN . 15.0 t80 -90.97 116.2 28.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 111' ' ' TRP . 4.1 m-85 -98.65 138.94 35.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.486 HG23 ' CD ' ' A' ' 16' ' ' ARG . 53.3 mt -133.2 110.64 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.748 HD23 ' HB1' ' A' ' 114' ' ' ALA . 16.1 tp -74.3 106.67 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -109.57 122.75 48.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -85.83 -30.96 22.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.99 -43.87 97.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.68 -25.74 49.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' C ' ' SG ' ' A' ' 45' ' ' CYS . 50.2 t-20 65.1 26.54 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 4.0 m -148.9 151.09 34.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -93.88 126.94 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.829 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.2 mt -129.51 120.56 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.52 ' HE3' HD12 ' A' ' 46' ' ' LEU . 35.8 p90 -109.05 132.63 53.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.667 ' HA ' HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -110.82 150.47 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 63' ' ' VAL . 91.7 mmm -42.4 -42.6 3.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.05 170.58 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 36' ' ' TYR . 49.5 m-20 -48.65 139.36 11.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.99 -4.17 15.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -77.89 -18.54 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -111.12 -16.66 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 81.1 mt -71.01 -171.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 174.85 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 58' ' ' VAL . 1.4 p -66.57 -38.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.78 32.75 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 172.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.09 -155.38 6.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.41 144.07 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 49' ' ' TYR . 1.9 t -72.99 -32.46 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -149.52 -147.71 4.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 78.5 p 179.52 148.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.802 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -142.57 96.03 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.97 115.99 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD13 ' A' ' 71' ' ' ILE . 78.5 mt -46.8 -28.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -51.32 -22.0 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HA ' HD21 ' A' ' 94' ' ' LEU . 20.7 m-85 -88.6 -60.29 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 HD23 ' A' ' 68' ' ' LEU . 2.6 mp -40.4 140.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -124.52 -42.11 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -153.87 147.97 25.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG12 HG13 ' A' ' 112' ' ' VAL . 26.0 t -126.52 100.15 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.3 t -119.81 164.8 15.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.512 ' CD1' HG21 ' A' ' 112' ' ' VAL . 19.9 mm -77.02 134.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -53.92 131.46 40.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.597 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -89.64 -171.51 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.47 -35.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 40.8 mt-30 -86.15 48.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 72.2 67.0 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.0 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' THR . 0.1 OUTLIER 73.24 -60.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LYS . 63.5 p -36.23 118.95 0.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.548 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.2 Cg_endo -75.0 109.79 3.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.0 m-85 70.34 66.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.77 129.15 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.673 ' CB ' HG22 ' A' ' 112' ' ' VAL . 18.0 p90 -114.62 143.89 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 99' ' ' PHE . 3.4 t -108.17 124.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 HD13 ' A' ' 115' ' ' LEU . 31.5 mt -89.54 104.96 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -81.12 119.94 24.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -119.84 -150.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 70' ' ' TYR . 4.9 mt -39.04 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.51 41.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 97' ' ' ARG . 34.4 tt0 -136.8 158.74 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -126.84 116.99 21.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' CD ' ' A' ' 96' ' ' GLN . 8.3 m-85 -97.35 121.88 39.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 90' ' ' VAL . 15.0 m-85 -96.08 105.85 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 mp -112.95 147.15 37.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -118.31 134.42 55.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -97.39 -164.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.74 -56.96 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.14 -152.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.5 tt0 -96.95 -22.3 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -74.16 -68.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -44.29 -36.21 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -62.38 -70.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.9 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -47.81 -54.7 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.9 t0 -44.58 -55.86 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CD1' HD21 ' A' ' 21' ' ' LEU . 12.3 m95 -49.49 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 89' ' ' PHE . 38.7 t -46.06 -52.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.65 -47.77 73.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -61.25 -49.31 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.735 HD13 HD11 ' A' ' 91' ' ' ILE . 25.0 mt -65.15 -22.23 66.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.56 -25.5 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -87.48 -47.09 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.21 -24.96 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 p -82.64 -37.03 25.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 122' ' ' GLY . 14.4 mtmt -88.22 15.02 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.0 -30.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -101.29 -147.1 19.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.06 27.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.5 t -95.93 75.91 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 113.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.02 151.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.033 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.94 114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.14 -168.05 14.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.23 140.19 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -165.25 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.73 -82.25 0.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.415 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -169.64 63.33 0.48 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 8' ' ' MET . 18.3 Cg_endo -75.01 165.49 31.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -114.27 101.17 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 63.02 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 178.89 136.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 55.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -51.86 -33.9 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 45.82 62.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' NE ' HG23 ' A' ' 38' ' ' ILE . 3.7 ttt180 171.43 143.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CB ' ' A' ' 39' ' ' LEU . 4.0 tt -111.66 146.4 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.93 148.06 38.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.49 -161.07 33.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 36' ' ' TYR . 71.5 m-85 -119.08 120.76 38.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' A' ' 89' ' ' PHE . 13.6 mt -110.73 168.73 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.52 95.56 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.499 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.1 tt -86.7 137.08 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 4.4 tt0 -66.64 125.11 24.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' HB2' HD21 ' A' ' 33' ' ' LEU . 50.8 t0 -78.55 170.85 15.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 52.9 t30 -108.09 16.45 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' ASN . 11.8 pt-20 -77.65 -40.3 42.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 47.9 m-80 -143.62 18.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.2 63.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 32' ' ' PHE . . . 178.67 -42.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 125.16 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 30.9 m-85 -100.18 148.22 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.47 137.93 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -86.21 99.73 11.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' NH2' ' HE1' ' A' ' 50' ' ' MET . 82.1 mmt-85 -121.1 153.45 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CE2' ' OD1' ' A' ' 52' ' ' ASN . 17.6 t80 -88.18 95.75 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CD1' ' CB ' ' A' ' 48' ' ' TRP . 4.6 m-85 -79.52 147.57 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.497 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.4 mt -141.85 114.69 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 ' CB ' HG22 ' A' ' 17' ' ' ILE . 13.9 tp -81.36 103.24 10.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -102.19 117.64 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -83.69 -15.18 49.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.35 -46.64 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 -21.35 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 68' ' ' LEU . 46.1 t30 62.13 26.21 15.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 44' ' ' ASN . 5.6 m -149.01 145.45 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.2 tm? -91.32 127.39 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.3 mt -124.66 130.51 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 63' ' ' VAL . 14.7 p90 -124.68 144.91 49.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.014 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -133.09 139.75 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HE1' ' NH2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -37.07 -40.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -143.68 163.85 32.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CE2' ' A' ' 36' ' ' TYR . 2.6 m-80 -44.45 148.58 0.86 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.93 21.53 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.96 -15.38 59.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -101.28 -32.58 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -109.83 144.42 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.41 -42.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.13 37.76 3.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -96.18 157.69 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.7 -142.77 9.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.3 130.24 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 48' ' ' TRP . 14.8 p -67.6 -14.12 17.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 48' ' ' TRP . . . -177.78 142.44 5.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 47' ' ' LEU . 70.1 p -130.56 161.3 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.86 125.69 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 69' ' ' THR . 3.0 mm100 -83.16 120.4 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 71' ' ' ILE . 38.2 mt -61.13 -19.21 61.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 67' ' ' GLN . 14.2 t -65.16 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HA ' HD21 ' A' ' 94' ' ' LEU . 11.4 m-85 -89.95 -46.0 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 HD23 ' A' ' 68' ' ' LEU . 2.9 mp -56.43 136.54 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 m -122.22 -40.59 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -149.36 148.63 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.696 HG21 ' HB3' ' A' ' 115' ' ' LEU . 39.7 t -128.61 97.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -115.35 163.69 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.651 ' CD1' HG21 ' A' ' 112' ' ' VAL . 28.2 mm -73.34 132.45 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.968 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -61.62 159.08 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.15 170.48 6.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -74.99 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -5.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -121.01 -60.68 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.544 ' HG3' ' CD2' ' A' ' 99' ' ' PHE . 2.8 mmtt -144.22 82.71 10.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . 18.5 Cg_endo -74.97 -177.08 3.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 72.44 11.19 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.3 p -125.53 114.79 25.23 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -95.3 75.76 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -131.64 139.0 49.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CB ' HG22 ' A' ' 112' ' ' VAL . 36.8 p90 -127.63 145.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.968 HG23 ' HB2' ' A' ' 77' ' ' ALA . 3.6 t -106.9 123.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 115' ' ' LEU . 21.3 mt -87.21 105.54 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -80.64 125.93 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -123.2 -148.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 70' ' ' TYR . 7.2 mt -39.56 -59.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -164.63 36.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -129.56 174.85 9.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 109.9 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 124.1 34.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.653 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.7 m-85 -92.51 115.94 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 100' ' ' LEU . 3.5 mp -125.27 151.92 45.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -123.45 133.28 54.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -94.27 -173.37 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.16 -55.22 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.7 -161.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 31.0 tt0 -90.19 -23.99 21.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -72.22 -64.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.62 -39.22 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.32 -59.48 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.798 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.62 -56.33 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -44.96 -62.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 22.4 m95 -43.24 -55.38 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 108' ' ' LEU . 85.7 t -51.91 -49.62 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -50.63 73.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.577 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.71 -44.77 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.7 mt -70.56 -15.99 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -19.54 25.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.3 mt-30 -93.29 -51.09 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.56 -36.41 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -45.73 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -86.35 9.87 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER 86.26 -45.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.21 -164.43 8.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.37 22.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.4 t -153.59 126.9 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -168.54 156.15 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.91 -58.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.82 -73.92 0.47 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t 71.79 -68.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.994 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -164.63 147.17 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.67 -91.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -157.29 67.52 4.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.53 42.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -101.28 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.6 t 66.57 10.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' VAL . 30.0 m-20 52.25 100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.19 79.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' THR . 30.7 mt-30 -51.1 -23.76 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.19 86.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -43.21 130.71 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' A' ' 110' ' ' ASP . 5.8 tt -109.0 151.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.09 159.97 44.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.18 158.49 9.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -82.22 127.09 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 111' ' ' TRP . 50.8 mt -127.27 164.52 21.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -115.61 94.11 4.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.2 121.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 9.6 tt0 -53.35 117.31 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD2' ' CD2' ' A' ' 33' ' ' LEU . 2.8 p30 -94.95 154.87 16.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.24 6.85 47.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.76 -48.61 63.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.45 13.31 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 39.1 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.62 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HE3' ' CD2' ' A' ' 33' ' ' LEU . 13.0 tttt -109.5 144.29 37.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 11.7 m-85 -114.52 121.57 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 HH22 ' A' ' 35' ' ' ARG . 3.4 mt -80.37 148.78 30.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -103.33 143.46 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.703 ' HG2' HG11 ' A' ' 63' ' ' VAL . 1.5 tpp180 -162.79 161.6 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HE2' HD11 ' A' ' 38' ' ' ILE . 34.1 t80 -87.08 110.94 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 21' ' ' LEU . 24.4 m-85 -95.63 151.32 19.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 36' ' ' TYR . 25.8 mt -145.24 108.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 17' ' ' ILE . 15.5 tp -73.81 92.77 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -89.63 115.8 27.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 14' ' ' GLN . 3.5 p -80.19 -38.34 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -61.85 -40.06 94.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -77.32 -27.34 52.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' HD12 ' A' ' 68' ' ' LEU . 57.2 t30 65.27 28.07 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 m -150.2 146.95 27.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.7 123.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.732 ' N ' HD13 ' A' ' 46' ' ' LEU . 3.4 mt -124.18 123.82 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.563 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.7 p90 -124.21 136.78 54.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.99 156.24 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE3' HG21 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -42.0 -46.33 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.15 173.64 11.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.556 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 3.9 m120 -49.18 146.9 5.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD3' ' CE2' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.03 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -23.38 58.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' OD1' HD23 ' A' ' 56' ' ' LEU . 3.1 p30 -102.26 -28.25 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD23 ' OD1' ' A' ' 55' ' ' ASN . 13.6 mt -67.4 -169.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.62 178.58 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.74 -40.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.28 15.33 50.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.65 162.71 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.66 -142.05 9.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.12 130.6 23.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' HG2' ' A' ' 35' ' ' ARG . 8.8 p -63.92 -17.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 48' ' ' TRP . . . -171.53 153.41 20.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 88.3 p -139.22 163.17 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -150.76 92.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.1 124.67 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 71' ' ' ILE . 41.0 mt -57.96 -18.86 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 p -59.29 -19.82 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.645 ' HA ' HD21 ' A' ' 94' ' ' LEU . 4.6 m-85 -92.22 -54.59 3.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD13 HD23 ' A' ' 68' ' ' LEU . 3.0 mp -47.93 137.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -123.79 -41.31 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -151.79 148.16 27.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.799 HG21 ' HB3' ' A' ' 115' ' ' LEU . 32.8 t -127.26 97.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.8 t -114.49 160.56 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 112' ' ' VAL . 21.4 mm -72.07 131.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -63.43 131.21 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 171.4 9.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.34 -15.18 29.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -116.19 -55.88 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 2.0 mmtm -139.82 81.01 19.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.11 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 70.77 -61.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -55.17 117.35 14.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -73.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 2.3 m-85 -89.19 73.49 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.49 131.23 43.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HD1' HD23 ' A' ' 108' ' ' LEU . 22.8 p90 -121.72 143.39 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.6 t -102.45 128.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 100' ' ' LEU . 26.4 mt -91.48 104.81 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -79.41 124.43 28.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -127.04 -149.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 70' ' ' TYR . 8.1 mt -40.24 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 p -153.6 36.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' CD ' ' CZ ' ' A' ' 98' ' ' TYR . 35.3 tt0 -133.14 159.16 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -129.36 113.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' ' CD ' ' A' ' 96' ' ' GLN . 28.2 m-85 -96.37 124.06 40.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 42.1 m-85 -96.74 106.42 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 91' ' ' ILE . 4.0 mp -110.62 144.49 39.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -109.78 142.17 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -110.6 168.79 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -74.58 -67.28 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -109.69 -162.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 28.8 tt0 -85.72 -23.4 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -71.15 -68.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -46.07 -33.29 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.45 -66.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.672 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -56.28 -45.95 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.75 ' HB3' HD11 ' A' ' 17' ' ' ILE . 6.3 m-20 -48.03 -62.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.615 ' CD2' HD11 ' A' ' 21' ' ' LEU . 36.7 m95 -48.98 -51.41 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 76' ' ' ILE . 54.9 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.5 -49.58 72.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 39' ' ' LEU . . . -57.12 -45.74 83.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.799 ' HB3' HG21 ' A' ' 74' ' ' VAL . 26.1 mt -67.05 -21.56 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -20.29 32.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -93.22 -54.42 3.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.14 -28.93 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -38.06 28.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 122' ' ' GLY . 13.3 mmtt -89.21 15.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.7 t -39.6 -29.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -132.11 150.23 19.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.15 31.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.7 t -59.59 -53.22 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.055 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -42.57 114.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.5 m -133.32 100.12 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.778 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.73 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 105.42 -139.69 14.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -151.07 100.93 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.77 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -63.81 1.78 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.3 mtp -147.35 92.91 4.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -74.98 -177.09 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.0 m-85 -169.14 175.47 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER 37.54 -155.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . 3.7 p30 -79.21 163.03 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.06 63.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.18 -32.04 54.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.697 ' HB2' HG21 ' A' ' 41' ' ' THR . 3.4 p30 -177.38 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 38' ' ' ILE . 5.2 ttt-85 -82.29 145.57 29.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG22 ' HB3' ' A' ' 39' ' ' LEU . 3.3 tt -127.15 162.54 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -149.93 154.85 38.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.34 150.36 5.36 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -78.85 121.08 24.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 111' ' ' TRP . 60.2 mt -112.97 161.76 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 93.06 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 tt -89.76 129.94 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 16.0 t0 -106.05 168.72 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 16.5 t-20 -90.38 16.99 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -52.46 63.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -144.54 -145.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -127.98 93.1 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.23 32.3 2.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -119.97 138.09 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 18.6 m-85 -129.0 140.23 51.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.26 101.07 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.83 103.5 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 50' ' ' MET . 87.7 mmt-85 -134.86 156.64 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 38' ' ' ILE . 31.8 t80 -85.18 102.58 13.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' HB3' ' CH2' ' A' ' 111' ' ' TRP . 4.5 m-85 -81.98 143.15 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 36' ' ' TYR . 59.7 mt -136.87 108.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' ILE . 16.9 tp -77.32 101.15 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -98.9 121.68 41.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.697 HG21 ' HB2' ' A' ' 15' ' ' ASN . 10.4 p -84.42 -15.75 45.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.5 -48.38 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.67 -21.71 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.817 ' HA ' HD12 ' A' ' 68' ' ' LEU . 52.2 t30 61.27 27.49 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 m -146.99 145.44 29.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 47' ' ' LEU . 1.1 tm? -93.15 127.77 38.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.0 mt -125.07 126.24 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.626 ' HE1' HG23 ' A' ' 63' ' ' VAL . 18.9 p90 -116.46 121.25 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 13.1 m-85 -111.36 152.52 27.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 35' ' ' ARG . 5.7 mtp -46.52 -32.81 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.44 174.94 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -45.5 133.05 6.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -8.64 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -18.82 44.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -103.3 -22.37 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.05 -172.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -106.9 152.43 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -48.62 -39.41 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.56 36.99 3.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ALA . . . -102.79 176.06 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.45 -173.15 30.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -106.5 143.44 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG23 ' HE1' ' A' ' 48' ' ' TRP . 27.8 m -66.13 -24.69 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.97 167.43 33.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.2 p -144.47 152.77 41.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -133.29 132.61 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.636 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.9 mm100 -92.16 118.54 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' ASN . 83.0 mt -58.69 -19.82 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 67' ' ' GLN . 1.7 t -68.19 -23.29 64.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 69' ' ' THR . 9.0 m-30 -82.33 -54.9 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mp -42.7 140.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -121.2 -41.08 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -153.83 146.64 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 115' ' ' LEU . 36.9 t -123.68 98.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 t -111.74 159.19 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.665 ' CD1' HG21 ' A' ' 112' ' ' VAL . 33.0 mm -68.63 137.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.788 ' HB2' HG23 ' A' ' 90' ' ' VAL . . . -75.59 134.05 40.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.477 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER -94.6 -178.84 0.86 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.06 -36.72 2.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -15.81 59.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -110.92 -52.03 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 99' ' ' PHE . 1.1 mmtm -148.15 86.67 5.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -65.35 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' PRO . 44.5 p -55.87 117.11 14.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -56.34 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 105' ' ' GLN . 1.4 m-85 -102.79 81.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -125.77 150.23 47.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CB ' HG22 ' A' ' 112' ' ' VAL . 53.6 p90 -136.57 136.01 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' HB2' ' A' ' 77' ' ' ALA . 2.3 t -101.38 123.61 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.878 HD11 HD13 ' A' ' 115' ' ' LEU . 23.4 mt -90.82 104.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.61 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' LEU . . . -131.67 -142.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.639 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -38.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 p -149.74 27.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -120.32 174.9 6.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 108.71 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.09 121.23 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' ' CG2' ' A' ' 90' ' ' VAL . 39.2 m-85 -97.87 112.99 24.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.5 mp -122.79 153.7 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 108' ' ' LEU . . . -101.88 -175.34 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -97.5 -56.29 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.73 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 23.2 tt0 -76.67 -23.99 53.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -72.15 -68.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 111' ' ' TRP . 14.0 t0 -40.43 -49.53 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.949 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -49.81 -60.04 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -60.51 -53.55 56.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 8.0 m-20 -45.83 -56.33 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 21' ' ' LEU . 29.7 m95 -51.55 -54.17 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 108' ' ' LEU . 48.8 t -50.86 -59.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.35 -50.51 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 39' ' ' LEU . . . -56.39 -46.68 80.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 91' ' ' ILE . 20.4 mt -69.14 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -92.3 -14.73 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.33 -61.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -44.95 -40.16 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -76.62 -66.33 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -87.77 -86.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.54 -32.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.3 171.3 5.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 77.6 p -168.19 166.59 12.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.96 . . . . . . . . 0 0 . 1 stop_ save_