data_1fw7_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 1fw7 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 7' ' ' PHE . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HG13 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.417 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 30' ' ' ALA . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CG ' HG23 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 35' ' ' TRP . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.409 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.504 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 7' ' ' PHE . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.411 ' OD1' HG21 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' HG13 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CD1' HG13 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 37' ' ' ALA . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.5 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.44 ' CG ' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 91' ' ' SER . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.414 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 37' ' ' ALA . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 75' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 37' ' ' ALA . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.417 ' CG ' HG22 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' CG ' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.466 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.417 ' CG ' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 HG21 ' CG ' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 HG13 ' CD1' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' HG13 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.316 -0.254 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.13 153.39 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 151.29 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -125.8 118.73 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -100.67 -36.97 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p 58.55 86.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.97 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.39 77.31 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.27 -23.72 28.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -82.75 -20.63 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.69 71.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -73.65 -36.35 65.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.36 -175.95 20.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 111.027 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -132.34 -71.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -173.94 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.97 95.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -64.51 136.32 56.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 110.341 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 7' ' ' PHE . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -157.36 159.42 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.14 150.34 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.386 1.054 . . . . 0.0 109.328 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm -94.61 96.2 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -171.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HG13 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 30' ' ' ALA . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -112.2 -39.02 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 84.24 2.33 0.85 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 159.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 46.87 63.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -77.61 -36.83 51.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -87.66 -21.93 24.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 -168.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.27 24.64 65.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -82.73 -37.75 24.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.82 166.93 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 171.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -126.08 171.98 10.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 t -60.51 96.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.44 -42.28 0.85 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -74.91 142.91 43.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -143.07 163.85 31.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 150.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm -99.24 92.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CG ' HG23 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 35' ' ' TRP . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.409 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -107.22 140.59 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -79.84 88.32 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.89 71.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 168.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -95.24 -47.6 6.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 110.269 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -78.75 -17.02 56.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.08 38.35 26.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -69.95 -40.12 75.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.257 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.68 168.37 11.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 1.184 . . . . 0.0 110.979 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.3 173.79 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -62.53 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.041 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.77 -42.35 0.67 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -173.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -74.26 145.57 43.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -157.08 44.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm -95.42 96.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.302 -172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -109.74 -39.11 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 91.0 -9.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 52.8 44.97 29.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.28 -27.53 60.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 110.326 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -84.46 -22.87 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.99 23.58 77.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -84.46 -35.69 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.76 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.21 -168.12 23.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -132.89 -76.06 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -168.82 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.33 95.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -66.3 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.325 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -69.26 109.39 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.24 151.48 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.9 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.504 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -104.26 -44.47 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 70.58 112.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -75.73 77.12 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -88.51 -31.29 18.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -87.26 -21.6 25.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.265 -168.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.54 25.34 72.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -84.3 -39.99 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.41 170.29 11.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 164.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -126.97 170.01 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.368 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -60.85 101.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.995 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.77 -46.01 0.82 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -74.2 136.14 42.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 110.247 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 7' ' ' PHE . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.411 ' OD1' HG21 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -77.36 153.12 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.4 151.16 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.75 121.16 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' HG13 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -101.9 -39.73 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t 67.69 100.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.61 83.98 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 173.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -93.88 -24.96 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -88.23 -28.47 21.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -167.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.38 27.59 59.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 0.0 111.101 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -84.28 -40.63 17.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.0 6.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.48 170.73 11.97 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -127.48 169.94 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -60.7 101.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.12 -47.11 0.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -72.94 136.87 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.246 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -154.84 87.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.296 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.19 151.22 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt -128.28 116.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CD1' HG13 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 37' ' ' ALA . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -99.55 -36.97 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.6 85.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -80.31 75.04 7.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.48 -13.99 33.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -79.06 -23.41 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.74 14.33 79.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -75.5 -36.15 60.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.354 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.66 3.61 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.87 147.85 16.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.071 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.54 28.53 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 0.823 . . . . 0.0 109.251 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t 79.3 -63.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.948 173.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.82 -37.26 75.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -60.48 138.49 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 172.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.5 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.11 44.44 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.72 151.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.87 93.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' CG ' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -111.62 143.24 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.3 t -78.87 78.43 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -79.66 72.54 6.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 172.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -102.52 -44.38 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -70.13 -24.4 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.215 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.37 36.58 26.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.5 171.86 14.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -126.55 171.69 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 0.8 . . . . 0.0 109.29 170.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -60.95 98.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.04 -38.22 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.05 147.54 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 91' ' ' SER . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.414 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.25 94.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.38 149.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm -97.75 108.68 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 -168.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -99.39 -35.18 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 65.56 78.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.12 77.57 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -83.99 -38.29 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.71 -18.35 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.56 33.41 25.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.46 -36.58 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.64 171.28 28.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 163.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -97.88 -73.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.352 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -165.65 -82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.51 -9.93 82.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 134.07 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.32 165.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 37' ' ' ALA . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -156.33 137.77 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.22 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.08 151.45 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 170.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.49 124.45 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.97 -43.08 8.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 69.68 107.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' GLU . 10.7 t-20 -66.16 -54.42 25.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -172.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 57.87 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.372 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ASN . 77.4 mm-40 -77.47 -16.84 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -153.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.0 30.59 19.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -73.52 -41.13 63.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.741 . . . . 0.0 109.258 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.06 7.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.82 170.8 12.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 166.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -125.72 172.83 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -63.79 97.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.14 -49.24 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -66.5 139.19 57.93 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 110.28 169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -163.3 158.6 21.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.18 151.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt -122.03 102.72 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.304 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 58' ' ' ASN . 16.7 t80 -105.6 -36.76 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.5 m 87.39 -35.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 166.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 44.8 t30 72.25 30.49 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 165.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 51.97 -141.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 144.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -46.97 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 154.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 160.63 46.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -54.4 -38.67 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 172.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.1 7.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.89 -172.48 24.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -137.53 -71.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.3 t -169.93 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.12 87.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -62.89 143.35 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 164.65 38.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.08 97.41 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.218 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' ' CE2' ' A' ' 82' ' ' PHE . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -113.99 141.62 47.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -165.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.16 35.31 24.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -79.63 -44.15 21.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.55 -33.78 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 36.28 39.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.66 -34.99 76.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 172.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.32 179.96 23.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -132.01 -69.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -172.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -174.22 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.56 91.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.083 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 143.78 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 110.341 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 75' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.97 140.62 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.226 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.14 150.45 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm -99.55 98.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -173.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 37' ' ' ALA . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' SER . 14.4 t80 -99.86 -31.56 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 2.1 t 86.27 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.92 166.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.39 29.21 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 159.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -67.65 -26.77 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.37 -24.11 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.22 28.01 70.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -83.64 -37.73 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.19 144.56 18.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -132.37 167.35 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 109.291 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -74.65 79.92 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.959 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.1 -45.41 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -57.6 130.67 47.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 100.6 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.56 150.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.23 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -114.42 -37.83 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t 89.14 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 161.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.85 58.59 2.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 171.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -21.39 57.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 170.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.94 -28.96 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 23.71 70.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -81.5 -31.76 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.29 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 174.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -126.17 -78.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -165.18 -52.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -172.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.1 -37.94 95.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.19 134.61 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 110.326 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -76.03 154.08 35.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.8 151.62 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.336 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.23 103.62 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.417 ' CG ' HG22 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' SER . 9.0 t80 -112.93 -30.67 6.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t 96.86 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.058 153.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 55.22 56.56 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.88 -37.34 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.23 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -79.16 -23.45 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -173.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.19 32.73 42.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -83.97 -32.24 25.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -174.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -168.43 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.39 167.59 13.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 158.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.21 -107.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.2 m -153.81 -60.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 -158.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -30.59 74.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 -49.6 133.25 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 110.298 158.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' CG ' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.466 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -133.65 158.25 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.17 150.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm -99.23 93.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.417 ' CG ' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -102.79 137.78 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 p -72.78 83.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -77.31 68.64 3.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -94.5 -50.42 5.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -76.04 -23.4 55.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.89 41.62 27.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.65 -34.7 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -178.87 4.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.07 171.86 12.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 166.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -123.61 174.94 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -67.34 89.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.942 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.11 -48.93 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -62.47 137.12 58.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.249 167.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 HG21 ' CG ' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.28 137.23 12.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.95 150.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -93.69 104.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 58' ' ' ASN . 5.6 t80 -97.38 -43.07 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t 63.1 97.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.902 -173.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 41.3 t30 -68.26 -52.05 38.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -165.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 77.55 -71.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 162.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -83.92 -15.34 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.64 31.06 25.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.618 1.199 . . . . 0.0 111.03 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -76.43 -42.29 44.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.14 -178.7 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -124.65 -72.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -171.95 -47.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -173.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.18 -33.74 86.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 173.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 134.56 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 0.816 . . . . 0.0 110.281 172.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -154.85 136.85 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.04 151.23 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.19 116.16 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CD1' HG13 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -101.9 -44.71 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t 68.89 116.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -68.21 99.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -77.02 129.0 35.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.609 1.193 . . . . 0.0 110.304 169.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 77.92 -3.55 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 149.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.53 32.8 59.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -74.0 -46.17 45.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.327 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 179.91 5.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.58 -178.07 16.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -127.91 -74.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -171.0 -49.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -172.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.34 95.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 173.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -67.43 140.2 57.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 110.236 173.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 HG13 ' CD1' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -156.23 112.79 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.87 151.24 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.05 . . . . 0.0 109.297 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt -128.71 115.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.82 -43.12 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t 70.83 111.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.965 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -75.33 78.86 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -88.94 -32.38 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.84 -22.36 25.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 110.311 -168.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.12 27.79 63.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.85 -42.12 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.5 3.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.64 148.02 16.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -139.8 166.23 25.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -73.29 77.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.61 -45.11 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.33 135.78 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.21 137.35 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.49 150.83 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.9 93.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.375 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' HG13 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 57' ' ' SER . 2.1 t80 -110.87 -34.75 6.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 56' ' ' PHE . 4.9 t 68.2 -160.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 -170.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -159.86 52.42 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -77.42 -33.88 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.13 -36.78 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.05 78.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 110.996 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -82.97 -38.07 23.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.22 6.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.08 179.74 18.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -124.82 -77.16 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -163.27 -52.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.95 -29.6 73.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -61.48 146.93 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 19' ' ' LYS . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HD23 ' A' ' 14' ' ' LEU . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CA ' ' A' ' 53' ' ' GLY . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 51' ' ' ILE . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 89' ' ' LEU . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 76' ' ' ILE . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.691 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.691 ' OD1' HG22 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.501 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' OH ' HD21 ' A' ' 20' ' ' LEU . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 19' ' ' LYS . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD11 ' CA ' ' A' ' 53' ' ' GLY . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' HD13 ' A' ' 76' ' ' ILE . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.683 HG22 ' CG ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.683 ' CG ' HG22 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.445 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' CD2' HG21 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 24' ' ' TYR . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HD2' HD13 ' A' ' 20' ' ' LEU . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.729 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.638 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.46 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 110' ' ' ARG . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD2' HG21 ' A' ' 76' ' ' ILE . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 20' ' ' LEU . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 53' ' ' GLY . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HD2' HD13 ' A' ' 20' ' ' LEU . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.681 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 89' ' ' LEU . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 7' ' ' PHE . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CG ' HG22 ' A' ' 76' ' ' ILE . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.53 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.47 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.409 ' HZ3' HD22 ' A' ' 14' ' ' LEU . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.637 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 20' ' ' LEU . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 53' ' ' GLY . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.704 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.673 HG22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.673 ' OD1' HG22 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.436 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 24' ' ' TYR . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.476 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.725 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 45' ' ' VAL . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 89' ' ' LEU . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.63 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' CG ' HG22 ' A' ' 76' ' ' ILE . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 76' ' ' ILE . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.717 ' HB2' HG21 ' A' ' 45' ' ' VAL . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 89' ' ' LEU . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.547 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 63' ' ' LEU . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 20' ' ' LEU . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.481 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.567 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CE3' HD13 ' A' ' 63' ' ' LEU . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.461 ' CG ' HG22 ' A' ' 76' ' ' ILE . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.444 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.486 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.486 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 76' ' ' ILE . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.428 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 63' ' ' LEU . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 20' ' ' LEU . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 24' ' ' TYR . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.665 ' HB2' HG21 ' A' ' 45' ' ' VAL . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 76' ' ' ILE . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 76' ' ' ILE . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 HD23 ' A' ' 20' ' ' LEU . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD11 ' CA ' ' A' ' 53' ' ' GLY . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.735 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 51' ' ' ILE . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.532 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 ' HG ' ' A' ' 89' ' ' LEU . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.689 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.689 ' OD1' HG22 ' A' ' 76' ' ' ILE . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.497 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 19' ' ' LYS . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 24' ' ' TYR . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 ' HG ' ' A' ' 89' ' ' LEU . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 76' ' ' ILE . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 86' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.633 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 24' ' ' TYR . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.724 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 64' ' ' PRO . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.603 HG21 ' CD2' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.666 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.496 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.669 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 76' ' ' ILE . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.666 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 76' ' ' ILE . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.625 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HG21 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 53' ' ' GLY . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.726 ' HB2' HG21 ' A' ' 45' ' ' VAL . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD21 HG12 ' A' ' 51' ' ' ILE . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HD21 ' A' ' 42' ' ' LEU . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.665 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.48 ' CG ' HG22 ' A' ' 76' ' ' ILE . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.464 ' CD2' HD21 ' A' ' 63' ' ' LEU . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.694 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.712 HG21 ' CD2' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' CG ' HG22 ' A' ' 76' ' ' ILE . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 HD23 ' A' ' 20' ' ' LEU . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 53' ' ' GLY . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 20' ' ' LEU . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.424 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.491 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD11 ' HG ' ' A' ' 89' ' ' LEU . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 20' ' ' LEU . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 24' ' ' TYR . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.72 ' HB2' HG21 ' A' ' 45' ' ' VAL . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.647 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.449 ' CG ' HG22 ' A' ' 76' ' ' ILE . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.42 ' C ' HD22 ' A' ' 89' ' ' LEU . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 HD21 HD23 ' A' ' 20' ' ' LEU . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 24' ' ' TYR . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 89' ' ' LEU . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.599 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 63' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 19' ' ' LYS . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.687 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.687 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 51' ' ' ILE . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 42' ' ' LEU . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 63' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.316 -0.254 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 63' ' ' LEU . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.47 ' CG ' HG22 ' A' ' 76' ' ' ILE . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 93' ' ' ASP . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' LEU . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.13 153.39 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 151.29 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -125.8 118.73 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 19' ' ' LYS . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HD23 ' A' ' 14' ' ' LEU . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CA ' ' A' ' 53' ' ' GLY . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 51' ' ' ILE . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -100.67 -36.97 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p 58.55 86.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.97 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.39 77.31 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.27 -23.72 28.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -82.75 -20.63 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.69 71.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -73.65 -36.35 65.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 89' ' ' LEU . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.92 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.36 -175.95 20.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 111.027 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -132.34 -71.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -173.94 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.97 95.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -64.51 136.32 56.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 110.341 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 76' ' ' ILE . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.691 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.691 ' OD1' HG22 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.501 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' OH ' HD21 ' A' ' 20' ' ' LEU . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -157.36 159.42 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.14 150.34 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.386 1.054 . . . . 0.0 109.328 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm -94.61 96.2 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -171.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 19' ' ' LYS . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD11 ' CA ' ' A' ' 53' ' ' GLY . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -112.2 -39.02 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 84.24 2.33 0.85 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 159.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 46.87 63.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -77.61 -36.83 51.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -87.66 -21.93 24.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 -168.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.27 24.64 65.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -82.73 -37.75 24.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.82 166.93 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 171.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -126.08 171.98 10.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 t -60.51 96.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.44 -42.28 0.85 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -74.91 142.91 43.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' HD13 ' A' ' 76' ' ' ILE . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG22 ' CG ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.683 ' CG ' HG22 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.445 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -143.07 163.85 31.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 150.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm -99.24 92.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' CD2' HG21 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 24' ' ' TYR . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HD2' HD13 ' A' ' 20' ' ' LEU . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.729 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -107.22 140.59 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -79.84 88.32 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.89 71.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 168.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -95.24 -47.6 6.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 110.269 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -78.75 -17.02 56.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.08 38.35 26.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -69.95 -40.12 75.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.257 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.02 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.68 168.37 11.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 1.184 . . . . 0.0 110.979 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.3 173.79 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -62.53 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.041 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.77 -42.35 0.67 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -173.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -74.26 145.57 43.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.638 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.46 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 110' ' ' ARG . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -157.08 44.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm -95.42 96.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.302 -172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD2' HG21 ' A' ' 76' ' ' ILE . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 20' ' ' LEU . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 53' ' ' GLY . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HD2' HD13 ' A' ' 20' ' ' LEU . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.681 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -109.74 -39.11 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 91.0 -9.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 52.8 44.97 29.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.28 -27.53 60.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 110.326 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -84.46 -22.87 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.99 23.58 77.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -84.46 -35.69 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 89' ' ' LEU . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.01 -178.76 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.21 -168.12 23.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -132.89 -76.06 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -168.82 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.33 95.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -66.3 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.325 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 7' ' ' PHE . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CG ' HG22 ' A' ' 76' ' ' ILE . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.53 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.47 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.409 ' HZ3' HD22 ' A' ' 14' ' ' LEU . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -69.26 109.39 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.24 151.48 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.9 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.637 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 20' ' ' LEU . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 53' ' ' GLY . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.704 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -104.26 -44.47 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 70.58 112.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -75.73 77.12 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -88.51 -31.29 18.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -87.26 -21.6 25.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.265 -168.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.54 25.34 72.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -84.3 -39.99 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -75.03 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.41 170.29 11.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 164.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -126.97 170.01 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.368 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -60.85 101.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.995 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.77 -46.01 0.82 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -74.2 136.14 42.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 110.247 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.673 HG22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.673 ' OD1' HG22 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.436 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -77.36 153.12 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.4 151.16 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.75 121.16 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 24' ' ' TYR . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.476 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.725 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 45' ' ' VAL . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -101.9 -39.73 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t 67.69 100.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.61 83.98 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 173.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -93.88 -24.96 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -88.23 -28.47 21.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -167.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.38 27.59 59.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 0.0 111.101 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -84.28 -40.63 17.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 89' ' ' LEU . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.96 179.0 6.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.48 170.73 11.97 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -127.48 169.94 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -60.7 101.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.12 -47.11 0.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -72.94 136.87 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.246 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.63 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' CG ' HG22 ' A' ' 76' ' ' ILE . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 76' ' ' ILE . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -154.84 87.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.296 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.19 151.22 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt -128.28 116.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.717 ' HB2' HG21 ' A' ' 45' ' ' VAL . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -99.55 -36.97 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.6 85.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -80.31 75.04 7.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.48 -13.99 33.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -79.06 -23.41 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.74 14.33 79.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -75.5 -36.15 60.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.354 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 89' ' ' LEU . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.08 112.66 3.61 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.87 147.85 16.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.071 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.54 28.53 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 0.823 . . . . 0.0 109.251 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t 79.3 -63.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.948 173.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.82 -37.26 75.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -60.48 138.49 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 172.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.547 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 63' ' ' LEU . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.11 44.44 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.72 151.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.87 93.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 20' ' ' LEU . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.481 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -111.62 143.24 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.3 t -78.87 78.43 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -79.66 72.54 6.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 172.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -102.52 -44.38 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -70.13 -24.4 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.215 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.37 36.58 26.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.567 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.02 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.5 171.86 14.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -126.55 171.69 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 0.8 . . . . 0.0 109.29 170.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -60.95 98.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.04 -38.22 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.05 147.54 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CE3' HD13 ' A' ' 63' ' ' LEU . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.461 ' CG ' HG22 ' A' ' 76' ' ' ILE . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.444 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.25 94.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.38 149.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm -97.75 108.68 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 -168.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.486 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -99.39 -35.18 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 65.56 78.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.12 77.57 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -83.99 -38.29 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.71 -18.35 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.56 33.41 25.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.46 -36.58 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.0 -166.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.64 171.28 28.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 163.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -97.88 -73.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.352 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -165.65 -82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.51 -9.93 82.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 134.07 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.32 165.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 76' ' ' ILE . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.428 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 63' ' ' LEU . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -156.33 137.77 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.22 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.08 151.45 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 170.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.49 124.45 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 20' ' ' LEU . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 24' ' ' TYR . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.665 ' HB2' HG21 ' A' ' 45' ' ' VAL . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.97 -43.08 8.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 69.68 107.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' GLU . 10.7 t-20 -66.16 -54.42 25.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -172.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 57.87 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.372 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ASN . 77.4 mm-40 -77.47 -16.84 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -153.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.0 30.59 19.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -73.52 -41.13 63.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.741 . . . . 0.0 109.258 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.96 178.06 7.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.82 170.8 12.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 166.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -125.72 172.83 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -63.79 97.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.14 -49.24 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -66.5 139.19 57.93 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 110.28 169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 76' ' ' ILE . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 76' ' ' ILE . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -163.3 158.6 21.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.18 151.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt -122.03 102.72 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.304 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 HD23 ' A' ' 20' ' ' LEU . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD11 ' CA ' ' A' ' 53' ' ' GLY . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.735 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 51' ' ' ILE . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.532 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.7 t80 -105.6 -36.76 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.5 m 87.39 -35.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 166.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 44.8 t30 72.25 30.49 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 165.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 51.97 -141.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 144.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -46.97 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 154.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 160.63 46.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -54.4 -38.67 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 172.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 ' HG ' ' A' ' 89' ' ' LEU . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.99 178.1 7.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.89 -172.48 24.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -137.53 -71.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.3 t -169.93 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.12 87.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -62.89 143.35 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.689 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.689 ' OD1' HG22 ' A' ' 76' ' ' ILE . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.497 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 164.65 38.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.08 97.41 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.218 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 19' ' ' LYS . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 24' ' ' TYR . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -113.99 141.62 47.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -165.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.16 35.31 24.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -79.63 -44.15 21.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.55 -33.78 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 36.28 39.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.66 -34.99 76.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 ' HG ' ' A' ' 89' ' ' LEU . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.0 172.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.32 179.96 23.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -132.01 -69.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -172.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -174.22 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.56 91.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.083 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 143.78 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 110.341 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 76' ' ' ILE . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 86' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.633 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.97 140.62 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.226 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.14 150.45 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm -99.55 98.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -173.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 24' ' ' TYR . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.724 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' SER . 14.4 t80 -99.86 -31.56 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 2.1 t 86.27 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.92 166.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.39 29.21 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 159.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -67.65 -26.77 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.37 -24.11 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.22 28.01 70.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -83.64 -37.73 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.99 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.19 144.56 18.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -132.37 167.35 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 109.291 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -74.65 79.92 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.959 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.1 -45.41 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -57.6 130.67 47.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 64' ' ' PRO . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.603 HG21 ' CD2' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 100.6 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.56 150.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.23 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.666 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.496 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.669 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -114.42 -37.83 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t 89.14 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 161.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.85 58.59 2.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 171.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -21.39 57.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 170.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.94 -28.96 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 23.71 70.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -81.5 -31.76 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.0 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.29 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 174.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -126.17 -78.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -165.18 -52.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -172.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.1 -37.94 95.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.19 134.61 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 110.326 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 76' ' ' ILE . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.666 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 76' ' ' ILE . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.625 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -76.03 154.08 35.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.8 151.62 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.336 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.23 103.62 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HG21 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 53' ' ' GLY . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.726 ' HB2' HG21 ' A' ' 45' ' ' VAL . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD21 HG12 ' A' ' 51' ' ' ILE . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HD21 ' A' ' 42' ' ' LEU . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' SER . 9.0 t80 -112.93 -30.67 6.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t 96.86 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.058 153.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 55.22 56.56 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.88 -37.34 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.23 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -79.16 -23.45 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -173.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.19 32.73 42.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -83.97 -32.24 25.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -174.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.96 -168.43 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.39 167.59 13.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 158.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.21 -107.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.2 m -153.81 -60.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 -158.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -30.59 74.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 -49.6 133.25 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 110.298 158.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.665 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.48 ' CG ' HG22 ' A' ' 76' ' ' ILE . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.464 ' CD2' HD21 ' A' ' 63' ' ' LEU . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -133.65 158.25 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.17 150.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm -99.23 93.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.694 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -102.79 137.78 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 p -72.78 83.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -77.31 68.64 3.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -94.5 -50.42 5.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -76.04 -23.4 55.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.89 41.62 27.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.65 -34.7 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.99 -178.87 4.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.07 171.86 12.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 166.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -123.61 174.94 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -67.34 89.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.942 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.11 -48.93 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -62.47 137.12 58.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.249 167.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.712 HG21 ' CD2' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' CG ' HG22 ' A' ' 76' ' ' ILE . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.28 137.23 12.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.95 150.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -93.69 104.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -170.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 HD23 ' A' ' 20' ' ' LEU . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 53' ' ' GLY . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 20' ' ' LEU . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.424 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 58' ' ' ASN . 5.6 t80 -97.38 -43.07 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t 63.1 97.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.902 -173.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 41.3 t30 -68.26 -52.05 38.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -165.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 77.55 -71.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 162.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -83.92 -15.34 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.64 31.06 25.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.618 1.199 . . . . 0.0 111.03 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -76.43 -42.29 44.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD11 ' HG ' ' A' ' 89' ' ' LEU . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.14 -178.7 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -124.65 -72.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -171.95 -47.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -173.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.18 -33.74 86.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 173.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 134.56 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 0.816 . . . . 0.0 110.281 172.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 20' ' ' LEU . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -154.85 136.85 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.04 151.23 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.19 116.16 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 24' ' ' TYR . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.72 ' HB2' HG21 ' A' ' 45' ' ' VAL . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -101.9 -44.71 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t 68.89 116.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -68.21 99.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -77.02 129.0 35.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.609 1.193 . . . . 0.0 110.304 169.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 77.92 -3.55 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 149.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.53 32.8 59.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -74.0 -46.17 45.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.327 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.95 179.91 5.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.58 -178.07 16.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -127.91 -74.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -171.0 -49.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -172.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.34 95.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 173.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -67.43 140.2 57.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 110.236 173.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.647 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.449 ' CG ' HG22 ' A' ' 76' ' ' ILE . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.42 ' C ' HD22 ' A' ' 89' ' ' LEU . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -156.23 112.79 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.87 151.24 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.05 . . . . 0.0 109.297 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt -128.71 115.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 HD21 HD23 ' A' ' 20' ' ' LEU . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 24' ' ' TYR . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.82 -43.12 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t 70.83 111.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.965 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -75.33 78.86 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -88.94 -32.38 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.84 -22.36 25.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 110.311 -168.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.12 27.79 63.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.85 -42.12 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 89' ' ' LEU . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.98 110.5 3.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.64 148.02 16.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -139.8 166.23 25.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -73.29 77.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.61 -45.11 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.33 135.78 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.599 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 63' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.21 137.35 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.49 150.83 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.9 93.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.375 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 19' ' ' LYS . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.687 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.687 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 51' ' ' ILE . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 42' ' ' LEU . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 63' ' ' LEU . 2.1 t80 -110.87 -34.75 6.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 56' ' ' PHE . 4.9 t 68.2 -160.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 -170.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -159.86 52.42 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -77.42 -33.88 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.13 -36.78 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.05 78.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 110.996 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -82.97 -38.07 23.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.07 179.22 6.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.08 179.74 18.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -124.82 -77.16 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -163.27 -52.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.95 -29.6 73.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -61.48 146.93 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 63' ' ' LEU . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.47 ' CG ' HG22 ' A' ' 76' ' ' ILE . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 93' ' ' ASP . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' LEU . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 19' ' ' LYS . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HD23 ' A' ' 14' ' ' LEU . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CA ' ' A' ' 53' ' ' GLY . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 51' ' ' ILE . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 89' ' ' LEU . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 76' ' ' ILE . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.691 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.691 ' OD1' HG22 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.501 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' OH ' HD21 ' A' ' 20' ' ' LEU . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 19' ' ' LYS . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD11 ' CA ' ' A' ' 53' ' ' GLY . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' HD13 ' A' ' 76' ' ' ILE . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.683 HG22 ' CG ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.683 ' CG ' HG22 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.445 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' CD2' HG21 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 24' ' ' TYR . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HD2' HD13 ' A' ' 20' ' ' LEU . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.729 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.638 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.46 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 110' ' ' ARG . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD2' HG21 ' A' ' 76' ' ' ILE . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 20' ' ' LEU . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 53' ' ' GLY . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HD2' HD13 ' A' ' 20' ' ' LEU . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.681 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 89' ' ' LEU . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 7' ' ' PHE . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CG ' HG22 ' A' ' 76' ' ' ILE . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.53 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.47 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.409 ' HZ3' HD22 ' A' ' 14' ' ' LEU . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.637 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 20' ' ' LEU . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 53' ' ' GLY . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.704 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.673 HG22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.673 ' OD1' HG22 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.436 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 24' ' ' TYR . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.476 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.725 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 45' ' ' VAL . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 89' ' ' LEU . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.63 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' CG ' HG22 ' A' ' 76' ' ' ILE . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 76' ' ' ILE . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.717 ' HB2' HG21 ' A' ' 45' ' ' VAL . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 89' ' ' LEU . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.547 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 63' ' ' LEU . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 20' ' ' LEU . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.481 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.567 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CE3' HD13 ' A' ' 63' ' ' LEU . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.461 ' CG ' HG22 ' A' ' 76' ' ' ILE . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.444 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.486 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.486 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 76' ' ' ILE . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.428 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 63' ' ' LEU . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 20' ' ' LEU . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 24' ' ' TYR . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.665 ' HB2' HG21 ' A' ' 45' ' ' VAL . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 76' ' ' ILE . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 76' ' ' ILE . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 HD23 ' A' ' 20' ' ' LEU . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD11 ' CA ' ' A' ' 53' ' ' GLY . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.735 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 51' ' ' ILE . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.532 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 ' HG ' ' A' ' 89' ' ' LEU . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.689 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.689 ' OD1' HG22 ' A' ' 76' ' ' ILE . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.497 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 19' ' ' LYS . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 24' ' ' TYR . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 ' HG ' ' A' ' 89' ' ' LEU . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 76' ' ' ILE . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 86' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.633 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 24' ' ' TYR . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.724 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 64' ' ' PRO . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.603 HG21 ' CD2' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.666 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.496 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.669 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 76' ' ' ILE . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.666 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 76' ' ' ILE . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.625 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HG21 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 53' ' ' GLY . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.726 ' HB2' HG21 ' A' ' 45' ' ' VAL . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD21 HG12 ' A' ' 51' ' ' ILE . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HD21 ' A' ' 42' ' ' LEU . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.665 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.48 ' CG ' HG22 ' A' ' 76' ' ' ILE . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.464 ' CD2' HD21 ' A' ' 63' ' ' LEU . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.694 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.712 HG21 ' CD2' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' CG ' HG22 ' A' ' 76' ' ' ILE . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 HD23 ' A' ' 20' ' ' LEU . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 53' ' ' GLY . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 20' ' ' LEU . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.424 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.491 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD11 ' HG ' ' A' ' 89' ' ' LEU . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 20' ' ' LEU . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 24' ' ' TYR . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.72 ' HB2' HG21 ' A' ' 45' ' ' VAL . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.647 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.449 ' CG ' HG22 ' A' ' 76' ' ' ILE . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.42 ' C ' HD22 ' A' ' 89' ' ' LEU . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 HD21 HD23 ' A' ' 20' ' ' LEU . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 24' ' ' TYR . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 89' ' ' LEU . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.599 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 63' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 19' ' ' LYS . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.687 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.687 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 51' ' ' ILE . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 42' ' ' LEU . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 63' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.316 -0.254 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 63' ' ' LEU . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.47 ' CG ' HG22 ' A' ' 76' ' ' ILE . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 93' ' ' ASP . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' LEU . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.13 153.39 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 151.29 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -125.8 118.73 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -160.05 43.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -105.63 169.08 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 165.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.2 m-85 -64.94 -55.11 21.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.75 -35.11 70.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.58 94.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.29 -37.01 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.786 . . . . 0.0 109.337 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.86 -51.33 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.37 -40.96 90.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.86 -30.39 70.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 19' ' ' LYS . 23.9 mt -68.75 -52.77 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -58.19 -31.98 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m -72.03 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -89.01 -8.14 54.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -163.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m170 63.52 44.56 5.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.592 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HD23 ' A' ' 14' ' ' LEU . 25.2 pttt -168.06 178.77 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CA ' ' A' ' 53' ' ' GLY . 34.2 mt -76.79 171.41 12.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 171.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.59 26.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 151.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.46 48.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -111.26 -6.24 14.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.9 m-30 -93.3 135.47 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.6 pt -108.46 -175.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -103.77 163.28 12.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 168.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -59.3 -33.64 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 p -58.64 -58.59 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.89 -48.78 78.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.61 -55.83 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -59.3 -43.12 92.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.17 65.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.73 -14.23 60.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.1 4.35 35.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.2 t90 -45.76 135.32 6.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 165.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.81 113.42 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 161.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.69 -35.7 6.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 t -80.95 -14.09 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -100.07 -11.95 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.08 9.37 85.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 165.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.55 38.56 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -148.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 51' ' ' ILE . 45.4 tp -63.82 -36.79 85.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.4 58.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.39 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -174.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.33 -19.12 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.32 73.62 6.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -171.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.68 4.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -18.88 36.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -97.61 164.57 12.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 109.266 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 m -128.12 177.3 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 2.9 mm -89.94 144.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 164.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.13 147.67 7.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 102.82 -13.76 56.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.9 172.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.54 148.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -100.67 -36.97 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p 58.55 86.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.97 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.39 77.31 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.27 -23.72 28.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -82.75 -20.63 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.69 71.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -73.65 -36.35 65.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 89' ' ' LEU . 96.8 mt -90.22 164.73 26.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.173 . . . . 0.0 109.281 167.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.92 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.36 -175.95 20.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 111.027 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -132.34 -71.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -173.94 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.97 95.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -64.51 136.32 56.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 110.341 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 163.97 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.405 169.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -120.78 146.88 46.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 108.028 172.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -118.65 167.41 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 165.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -125.32 167.51 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -157.62 150.72 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 76' ' ' ILE . 66.3 m-20 -73.15 129.19 37.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.691 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.8 mm -108.71 141.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.691 ' OD1' HG22 ' A' ' 76' ' ' ILE . 33.2 m120 67.65 15.46 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 167.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -49.44 132.42 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 169.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -117.54 -73.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 161.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -157.06 164.65 37.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.56 -143.54 16.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 40.1 m-85 -74.63 171.8 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -79.29 143.92 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 173.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -109.83 -163.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -161.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 p -95.81 -38.45 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -146.02 141.25 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.501 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.5 tt -91.28 133.69 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 174.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.8 mm? -103.97 138.5 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 171.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' OH ' HD21 ' A' ' 20' ' ' LEU . 17.7 p90 -146.34 131.88 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.041 170.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.2 p -90.2 175.69 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -66.61 -37.17 84.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -4.03 56.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -176.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.7 m95 74.47 49.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.038 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.47 143.02 30.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 142.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.85 133.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.6 176.11 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.6 ptpt -125.27 163.19 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 169.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.94 141.15 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 163.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -119.13 15.19 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.47 30.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -164.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.0 t60 57.33 60.31 2.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 167.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 49.34 54.11 11.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -100.25 -57.21 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 159.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p -141.16 152.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.98 156.09 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.925 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.1 m -129.33 133.62 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.461 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -75.13 128.42 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.2 pt -114.05 -34.76 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 C--O 1.209 -1.049 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 172.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -157.36 159.42 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.14 150.34 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.386 1.054 . . . . 0.0 109.328 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.5 mm -94.61 96.2 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -171.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -147.46 28.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 p -103.27 166.09 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.412 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.0 m-85 -64.0 -55.66 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.48 -31.04 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.46 63.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.36 -35.27 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 0.712 . . . . 0.0 109.359 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.15 -51.94 66.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.3 -41.66 98.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.09 -31.91 73.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 19' ' ' LYS . 24.1 mt -68.16 -52.33 35.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -54.02 -34.98 61.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.083 . . . . 0.0 110.249 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.7 m -72.41 -71.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -94.07 -5.75 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -165.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 m170 60.64 42.84 13.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.9 pttp -166.16 176.18 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 171.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD11 ' CA ' ' A' ' 53' ' ' GLY . 71.1 mt -68.19 170.77 6.88 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 171.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.29 29.98 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 151.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.47 47.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.98 -6.89 14.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.395 164.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.6 m-30 -95.97 132.65 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 pt -118.5 147.49 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.98 154.6 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -56.05 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -59.12 -58.11 10.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.022 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -56.72 -52.44 64.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.36 -54.88 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.27 -43.38 87.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 -38.35 65.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.88 -15.22 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.27 3.99 38.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.4 t90 -44.98 135.46 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.5 120.31 57.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 161.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.63 -31.05 34.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.17 16.27 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -103.07 -16.93 15.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 151.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.94 9.82 81.93 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -109.44 36.88 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 -142.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -33.17 75.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.03 60.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -33.75 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -170.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.2 m -89.37 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.374 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.49 76.21 5.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.81 5.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.409 1.742 . . . . 0.0 110.962 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.23 -19.49 29.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.932 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -90.21 170.86 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -127.63 -174.78 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.37 152.92 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 160.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.34 152.65 8.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.07 -12.42 58.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.76 171.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.305 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.83 153.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -112.2 -39.02 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 171.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 84.24 2.33 0.85 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 159.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 46.87 63.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -77.61 -36.83 51.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -87.66 -21.93 24.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 -168.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.27 24.64 65.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -82.73 -37.75 24.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 78.6 mt -89.58 161.79 38.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.747 . . . . 0.0 110.936 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.82 166.93 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 171.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -126.08 171.98 10.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 t -60.51 96.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.44 -42.28 0.85 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -74.91 142.91 43.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.9 160.95 25.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 169.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -120.45 150.65 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -121.9 169.02 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 166.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.3 165.86 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.74 155.47 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' HD13 ' A' ' 76' ' ' ILE . 78.9 m-20 -77.71 128.83 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG22 ' CG ' ' A' ' 77' ' ' ASN . 26.1 mm -107.59 144.13 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 170.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.683 ' CG ' HG22 ' A' ' 76' ' ' ILE . 24.2 m120 75.01 10.0 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 166.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.32 132.8 44.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 p -116.42 -73.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.394 170.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 p -148.87 160.15 43.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.066 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.42 -144.93 16.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.0 m-85 -79.56 171.32 15.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.49 0.759 . . . . 0.0 111.014 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -75.81 146.66 39.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -109.4 -161.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.286 -167.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -90.7 -42.2 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.96 124.47 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -146.76 146.55 30.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 170.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.445 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.9 tt -90.7 128.27 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 170.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -100.2 134.69 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 171.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -144.84 131.02 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.2 p -90.03 176.31 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -68.57 -39.22 81.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -3.74 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.5 m95 75.16 54.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 168.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.49 148.16 26.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 140.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.45 134.55 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.95 177.64 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 162.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.3 pttm -124.23 164.83 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 168.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.06 133.89 14.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 161.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -115.13 12.65 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.37 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.86 17.04 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -162.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 61.42 65.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 59.94 31.95 20.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 161.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -92.56 -52.56 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 172.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 p -139.25 147.83 42.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.78 153.56 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.4 m -134.16 137.73 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -83.61 120.4 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.9 pt -107.89 -29.52 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? . . . . . 0 C--O 1.208 -1.097 0 O-C-N 124.438 1.086 . . . . 0.0 110.286 169.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -143.07 163.85 31.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 150.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 mm -99.24 92.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -147.08 29.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -98.78 161.14 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 173.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' CD2' HG21 ' A' ' 76' ' ' ILE . 15.9 m-85 -59.32 -54.01 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.28 -36.56 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -170.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.78 -40.21 85.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -72.03 -38.31 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.736 . . . . 0.0 109.277 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -51.21 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.38 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.39 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.02 -50.95 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -54.84 -33.03 61.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 110.215 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -72.23 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.78 -11.63 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -163.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.8 m170 66.51 38.24 4.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.1 171.77 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 173.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 24' ' ' TYR . 59.9 mt -69.29 169.23 12.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.52 34.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 151.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -81.3 51.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.71 -6.97 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 163.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HD2' HD13 ' A' ' 20' ' ' LEU . 15.0 m-30 -97.37 132.15 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 pt -119.26 147.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -78.84 154.15 30.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 110.413 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -56.89 -32.59 66.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 p -58.56 -56.46 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -57.69 -53.29 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.48 -54.33 7.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -59.5 -43.24 93.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.47 66.45 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.86 -14.03 60.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.92 30.77 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.729 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.3 t90 -46.78 136.27 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.55 122.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 159.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.34 -29.3 23.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 m -100.55 6.27 44.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.057 -173.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -100.36 -17.41 17.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 159.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.75 8.83 82.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 169.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -110.37 36.55 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -143.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.52 -36.3 83.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.52 -8.75 58.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.226 -173.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -34.53 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.072 . . . . 0.0 109.279 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 m -89.26 -20.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.16 73.85 5.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -167.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.66 -21.46 30.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -95.36 165.18 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.351 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -124.03 -171.31 2.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.928 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.52 154.72 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 161.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.96 156.57 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.4 -15.5 61.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.46 172.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 109.307 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.03 151.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -107.22 140.59 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -79.84 88.32 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.89 71.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 168.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -95.24 -47.6 6.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 110.269 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -78.75 -17.02 56.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.08 38.35 26.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -69.95 -40.12 75.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.257 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.5 mt -89.64 160.96 40.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.02 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 111.017 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.68 168.37 11.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 1.184 . . . . 0.0 110.979 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.3 173.79 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -62.53 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.041 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.77 -42.35 0.67 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -173.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -74.26 145.57 43.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.67 160.11 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -119.1 147.97 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 107.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -119.76 167.72 11.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 166.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -126.6 162.47 25.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.68 28.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -71.97 130.0 39.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.638 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.3 mm -108.48 145.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 168.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 67.98 11.9 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 164.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.24 134.04 33.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 p -115.99 -74.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 162.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.3 p -158.05 169.27 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.87 -142.86 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 51.3 m-85 -81.51 166.98 19.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 158.62 35.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -119.35 -158.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -159.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.4 p -111.85 -39.95 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.89 115.08 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -151.16 141.96 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.397 1.06 . . . . 0.0 110.305 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.46 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.4 tt -92.77 134.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.93 141.14 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -148.91 132.26 16.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.939 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 p -91.7 173.48 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -60.46 -40.63 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -4.61 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 66.5 m95 73.25 50.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.963 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 110' ' ' ARG . 8.6 mt -82.84 130.78 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 141.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.9 mt -120.74 132.11 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -124.42 176.44 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.6 ptmm? -125.48 160.46 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 170.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.73 140.14 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.456 164.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.4 p -116.44 7.01 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.71 22.54 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -159.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 t60 59.63 61.19 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.533 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 56.73 48.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.01 -55.32 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 165.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 p -138.33 149.89 46.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.37 153.06 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.8 m -131.83 135.74 46.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.607 1.192 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 126.0 29.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 36.1 pt -116.02 -15.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' ILE . 5.8 mmm180 . . . . . 0 C--O 1.208 -1.087 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -159.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -157.08 44.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm -95.42 96.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.302 -172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -159.36 55.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -112.82 175.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.384 155.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD2' HG21 ' A' ' 76' ' ' ILE . 21.1 m-85 -68.72 -53.08 24.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -33.93 64.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.81 98.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.3 t -77.21 -37.82 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 109.286 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.25 -50.33 65.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.65 -38.46 83.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -65.81 -31.68 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.068 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 20' ' ' LEU . 39.4 mt -69.68 -48.75 58.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -53.17 -32.72 49.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.3 m -77.44 -68.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.69 -13.91 23.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -166.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.31 37.27 4.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 109.574 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -164.96 173.45 11.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 53' ' ' GLY . 54.7 mt -67.66 167.09 17.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 172.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.87 19.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 152.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 -8.66 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.584 1.178 . . . . 0.0 109.272 -165.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.25 -5.39 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -163.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HD2' HD13 ' A' ' 20' ' ' LEU . 17.6 m-30 -97.82 129.43 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 pt -116.65 147.9 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -78.72 154.83 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.58 -32.53 65.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -59.34 -55.25 37.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.42 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.46 -43.76 89.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.15 67.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.67 -13.83 60.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.22 6.03 36.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.681 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.0 t90 -45.65 133.74 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 164.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.75 107.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.334 165.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.01 -35.84 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 172.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -73.15 -22.53 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -101.19 -9.81 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.81 9.83 84.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 165.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -104.32 39.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.28 -149.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -37.52 87.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.41 -11.09 59.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -32.33 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -172.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.7 m -89.35 -19.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 75.04 5.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.388 -171.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.87 4.71 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.66 -20.17 29.97 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -93.76 169.13 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 m -131.73 -175.8 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.28 153.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 163.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.05 159.32 20.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 110.997 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.86 -14.96 63.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.28 172.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.2 mm -90.76 153.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -109.74 -39.11 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 91.0 -9.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 52.8 44.97 29.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.28 -27.53 60.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 110.326 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -84.46 -22.87 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.99 23.58 77.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -84.46 -35.69 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 89' ' ' LEU . 68.3 mt -89.26 160.87 41.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.372 1.045 . . . . 0.0 109.323 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.01 -178.76 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.973 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.21 -168.12 23.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -132.89 -76.06 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -168.82 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.33 95.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -66.3 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.325 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.67 161.45 21.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.426 173.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -117.87 147.6 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -122.67 167.55 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 168.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.42 165.97 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.83 150.97 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -76.2 128.94 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 7' ' ' PHE . 28.9 mm -107.33 141.31 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 173.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CG ' HG22 ' A' ' 76' ' ' ILE . 54.7 m-20 67.98 9.68 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 159.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.07 136.46 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.94 -73.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.398 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -152.58 159.48 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.7 -145.28 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.53 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 32.2 m-85 -70.21 175.15 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 110.978 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 150.07 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -113.55 -161.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -160.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 p -107.86 -37.84 6.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -63.97 111.06 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 171.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -150.24 136.18 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.47 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.2 tt -91.05 135.84 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.2 mm? -102.48 141.13 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 169.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.35 132.28 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 168.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -87.09 179.01 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.95 -41.01 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -3.41 58.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -174.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.409 ' HZ3' HD22 ' A' ' 14' ' ' LEU . 66.4 m95 77.77 45.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 167.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -79.6 128.64 33.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.369 146.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -123.65 131.58 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -126.38 175.93 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.8 ptpp? -121.98 161.12 23.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 167.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 136.33 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 162.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.0 p -113.77 5.88 16.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.29 14.81 6.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -160.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 64.09 67.51 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.563 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.38 46.01 24.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -100.19 -61.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 165.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.3 p -134.95 146.17 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -127.82 151.93 48.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -170.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.4 m -131.74 137.27 48.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -85.8 120.76 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -172.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 pt -107.77 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 165.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -69.26 109.39 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.24 151.48 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.9 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -138.02 22.91 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.214 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -95.65 158.38 15.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.637 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.5 m-85 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.81 -41.74 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.7 -40.39 93.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -72.15 -38.13 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.265 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.07 82.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.13 -39.81 86.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -67.12 -30.6 70.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 20' ' ' LEU . 40.5 mt -70.2 -50.45 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.15 -32.99 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -75.74 -73.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -91.99 -12.49 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -165.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.1 m170 65.66 39.52 4.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -162.94 170.7 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.226 171.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 53' ' ' GLY . 68.5 mt -67.38 168.98 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.19 18.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 153.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.83 -11.59 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -165.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -83.94 -3.91 58.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -161.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -98.39 131.91 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 pt -117.33 147.71 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.211 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.3 p -76.8 154.46 33.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -56.78 -33.12 66.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -58.17 -56.94 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -56.95 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.1 -54.97 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.36 -43.38 92.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.3 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.237 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.1 -13.99 60.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.62 35.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.704 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.8 t90 -45.63 135.43 6.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 112.38 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 162.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.44 -36.66 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 171.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -75.0 -20.47 59.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -100.45 -9.75 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.381 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 80.51 9.63 86.24 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 164.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -104.83 37.78 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -150.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.48 -36.15 82.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.59 -9.9 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.04 -33.16 11.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.18 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.98 74.54 5.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.608 1.192 . . . . 0.0 109.249 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 117.35 4.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.975 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -24.24 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -96.8 165.51 12.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 m -125.85 -170.93 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -94.94 153.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.388 1.055 . . . . 0.0 109.274 162.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.9 154.08 10.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 100.96 -15.51 58.06 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.83 173.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.62 153.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -104.26 -44.47 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 70.58 112.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -75.73 77.12 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -88.51 -31.29 18.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -87.26 -21.6 25.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.265 -168.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.54 25.34 72.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -84.3 -39.99 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.1 mt -89.92 161.63 37.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 171.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -75.03 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.41 170.29 11.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 164.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -126.97 170.01 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.368 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -60.85 101.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.995 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.77 -46.01 0.82 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -74.2 136.14 42.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 110.247 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.69 162.88 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -122.89 144.71 49.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.18 165.31 17.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.84 166.11 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.55 152.02 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 171.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -77.24 128.87 35.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.673 HG22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mm -107.46 137.85 36.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 174.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.673 ' OD1' HG22 ' A' ' 76' ' ' ILE . 22.8 m120 66.66 13.23 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 164.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.03 135.07 49.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -111.93 -73.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.7 p -153.82 164.26 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.19 -143.74 16.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.0 m-85 -75.33 173.94 10.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -74.53 144.84 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.252 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.8 -163.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -162.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -36.31 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 115.32 3.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -150.14 138.33 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.436 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.9 tt -91.61 131.93 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -101.0 138.8 37.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 169.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -146.18 131.48 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.5 p -85.12 178.62 7.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -63.64 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.956 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -3.62 58.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -173.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.0 m95 77.04 48.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 168.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.48 131.17 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 144.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.5 mt -127.31 131.59 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -175.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -127.99 175.48 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 169.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 14.5 ptpt -123.34 162.44 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t -154.22 141.55 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.3 p -129.38 29.36 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -171.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.47 39.28 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 51.49 64.44 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 56.17 48.39 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -100.06 -57.38 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 164.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.8 p -129.56 148.62 51.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -129.83 152.03 49.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.6 m -133.72 136.99 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -80.44 127.06 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.3 pt -109.8 -10.56 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.576 1.173 . . . . 0.0 110.246 159.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -77.36 153.12 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.4 151.16 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.75 121.16 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.2 46.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -103.8 167.51 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 163.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.3 m-85 -66.07 -58.97 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.93 -30.97 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -170.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.43 61.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.77 -36.68 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.27 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.02 -35.49 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -171.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -67.27 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.92 -49.62 60.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.84 -36.72 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 m -74.8 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -95.34 -14.55 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.992 -166.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.6 m170 65.18 37.9 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -164.66 172.33 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 24' ' ' TYR . 51.4 mt -72.09 169.48 16.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 153.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.2 -8.17 59.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -164.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -82.11 -5.47 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -165.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.476 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.2 m-30 -95.75 133.58 39.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 pt -118.85 149.71 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.9 p -78.35 155.2 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.509 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -56.38 -34.26 66.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -58.15 -54.42 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.58 -52.63 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 110.358 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.74 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.41 -43.54 92.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.41 1.069 . . . . 0.0 110.242 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.8 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.18 -13.74 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.29 4.37 35.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.616 1.197 . . . . 0.0 111.041 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.725 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.9 t90 -45.92 135.19 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 165.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.17 112.04 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 163.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -51.3 -28.56 12.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 173.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -73.47 -31.28 63.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.34 -9.24 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.227 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.63 8.91 83.99 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 162.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 45' ' ' VAL . 19.3 p-10 -102.14 38.81 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 -153.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.38 -40.41 93.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.65 -8.31 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -97.47 -34.65 10.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.06 -17.58 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.353 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 73.66 5.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -168.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.47 -17.82 42.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.34 165.76 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -123.79 -177.87 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -94.33 147.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 161.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.71 150.8 7.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.09 . . . . 0.0 110.966 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.89 -13.19 63.89 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.76 173.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.1 149.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -101.9 -39.73 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t 67.69 100.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.61 83.98 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 173.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -93.88 -24.96 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -88.23 -28.47 21.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -167.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.38 27.59 59.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 0.0 111.101 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -84.28 -40.63 17.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 89' ' ' LEU . 78.5 mt -90.24 161.85 36.34 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 168.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.96 179.0 6.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.48 170.73 11.97 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -127.48 169.94 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -60.7 101.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.12 -47.11 0.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -72.94 136.87 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.246 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.72 162.96 13.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 174.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -122.95 146.01 47.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -122.44 167.99 12.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 168.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.1 164.28 21.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.52 147.95 25.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.53 128.87 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.63 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.1 mm -107.77 146.02 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' CG ' HG22 ' A' ' 76' ' ' ILE . 23.0 m120 72.25 9.34 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 170.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -52.1 133.04 33.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.2 p -117.28 -77.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 164.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.9 p -162.15 168.08 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.45 -142.01 17.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 77.9 m-85 -74.45 166.23 23.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.956 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -73.69 147.48 43.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -102.64 -164.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -167.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -91.74 -41.35 10.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 123.65 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -146.08 150.18 35.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 76' ' ' ILE . 11.3 tt -94.32 129.2 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 168.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -98.22 137.53 36.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 170.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -145.09 132.15 20.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 97.3 p -83.67 178.86 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -65.25 -38.76 91.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -3.84 59.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.218 -173.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 m95 76.85 47.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.49 127.82 32.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 144.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.5 mt -122.98 132.23 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.36 173.92 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.049 167.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 3.0 ptpp? -123.45 162.82 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 t -158.06 140.65 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 165.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.6 p -116.75 9.69 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.381 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 10.41 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -155.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t60 62.43 65.51 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.61 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 61.3 30.88 19.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 160.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -92.12 -51.02 5.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.9 p -139.94 150.64 44.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.431 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -129.47 157.76 41.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.7 m -133.13 136.06 45.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -84.04 120.29 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -172.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 pt -109.44 -26.53 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 165.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -154.84 87.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.296 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.19 151.22 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.5 mt -128.28 116.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -160.11 50.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -109.87 172.93 6.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 158.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.9 m-85 -68.71 -51.1 45.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.94 -41.16 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.43 99.13 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.32 -40.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.264 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.69 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.7 -43.32 84.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -67.18 -28.51 68.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.44 -54.15 22.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -53.44 -33.47 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.1 m -73.57 -76.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.23 -12.17 36.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -164.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.4 m170 66.76 37.79 4.08 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 0.0 109.617 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -165.64 170.38 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.8 mt -73.17 168.84 21.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 144.16 29.59 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.493 1.786 . . . . 0.0 110.915 152.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.25 52.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -113.24 -6.42 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 159.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.47 132.81 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.925 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.6 pt -120.23 148.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 p -81.96 154.06 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -55.71 -32.41 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.87 -54.37 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.062 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.34 -52.85 63.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.21 -55.57 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.06 -43.52 91.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.257 -171.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.44 68.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.41 -13.63 60.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.2 2.98 31.46 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.717 ' HB2' HG21 ' A' ' 45' ' ' VAL . 27.1 t90 -46.39 135.08 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 166.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.45 112.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 162.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.39 -34.41 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 172.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -79.78 -14.33 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 -173.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -100.35 -13.08 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.28 9.49 83.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 166.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -106.79 39.07 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 -146.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.18 -37.98 89.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.74 59.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.288 -172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.09 -32.58 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -172.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' HB2' ' A' ' 35' ' ' TRP . 16.5 m -89.33 -19.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.2 74.91 5.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.396 -170.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.37 -17.22 37.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.93 171.53 9.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -136.07 -179.8 5.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -84.84 151.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 165.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 155.18 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.61 -16.05 62.0 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.26 173.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.98 148.61 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 172.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -99.55 -36.97 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.6 85.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -80.31 75.04 7.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.48 -13.99 33.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -79.06 -23.41 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.74 14.33 79.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -75.5 -36.15 60.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.354 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 89' ' ' LEU . 93.3 mt -90.01 164.6 27.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 167.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.08 112.66 3.61 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.967 173.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.87 147.85 16.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.071 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.54 28.53 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 0.823 . . . . 0.0 109.251 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t 79.3 -63.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.948 173.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.82 -37.26 75.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -60.48 138.49 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 172.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.13 160.1 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -118.89 147.05 44.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 164.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -124.53 166.82 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -157.49 145.92 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -72.67 129.05 37.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 7' ' ' PHE . 34.2 mm -108.9 146.29 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 170.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.8 m-20 68.09 9.38 7.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 160.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -70.03 137.29 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.3 p -108.76 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.417 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -151.88 160.9 43.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.45 -144.61 16.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 42.3 m-85 -71.66 172.91 8.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 110.952 -175.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.35 151.97 42.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 171.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.29 -158.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -159.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -105.2 -40.32 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 117.74 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 0.0 109.262 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.26 135.56 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.547 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -92.24 127.37 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 172.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -101.52 138.9 37.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 172.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.34 131.24 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.7 p -87.75 171.97 10.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.0 p -62.8 -40.64 97.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -4.2 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -175.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.0 m95 74.89 53.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.18 148.12 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 140.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.12 134.48 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -128.22 175.91 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 162.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.7 pttp -125.05 166.46 16.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.26 167.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 140.58 20.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 164.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.5 p -119.68 11.06 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 -175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.71 16.6 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 -162.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.7 t60 63.23 65.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 57.35 39.56 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 164.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -99.99 -53.29 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 148.07 43.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 63' ' ' LEU . 23.9 m-85 -128.37 159.6 34.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.059 . . . . 0.0 111.03 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.2 m -133.3 137.8 46.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -81.75 125.01 30.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.2 pt -117.22 6.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 151.429 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.11 44.44 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.72 151.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.87 93.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -142.95 28.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -96.09 159.08 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.5 m-85 -56.29 -54.87 40.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.48 -37.66 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.68 88.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -71.95 -39.51 66.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.11 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.16 -38.27 85.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 20' ' ' LEU . 44.7 mt -68.5 -50.33 53.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.97 -33.06 55.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -76.67 -69.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -96.26 -13.32 23.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.5 m170 65.32 40.11 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.574 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -164.27 171.21 15.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.8 mt -71.41 170.66 11.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.64 29.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 150.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.22 52.59 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -113.18 -6.74 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 160.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.8 m-30 -95.29 136.02 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.23 -173.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.3 p -106.36 163.45 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 167.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -60.26 -33.03 71.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -58.28 -59.71 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.0 -47.95 79.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.07 -57.27 5.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.62 -42.76 93.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.284 -170.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.49 -13.32 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 8.67 42.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.3 t90 -43.12 132.76 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 163.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.42 95.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 169.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 168.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -64.03 -27.95 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.526 1.141 . . . . 0.0 110.069 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -102.85 -11.91 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 85.22 10.81 77.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 168.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -97.37 41.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -153.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.55 -39.0 92.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.71 -12.11 60.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.97 -29.86 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -170.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.7 m -89.46 -20.08 7.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.8 5.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -171.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.48 -20.27 30.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -93.72 168.61 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.283 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -139.11 178.36 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.72 149.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.93 153.75 11.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.481 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 98.32 -15.05 61.79 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.14 172.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 mm -88.72 153.22 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -111.62 143.24 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.954 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.3 t -78.87 78.43 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -79.66 72.54 6.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 172.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -102.52 -44.38 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -70.13 -24.4 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.215 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.37 36.58 26.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.567 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.4 mt -89.93 161.26 38.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 168.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.02 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.5 171.86 14.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -126.55 171.69 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 0.8 . . . . 0.0 109.29 170.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -60.95 98.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.04 -38.22 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.05 147.54 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.51 161.22 26.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.388 168.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CE3' HD13 ' A' ' 63' ' ' LEU . 91.5 m95 -124.54 148.95 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 107.986 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -124.53 165.99 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -124.65 163.21 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.79 146.5 24.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -72.12 129.29 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 7' ' ' PHE . 32.9 mm -107.16 137.07 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 171.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.461 ' CG ' HG22 ' A' ' 76' ' ' ILE . 63.1 m-20 67.88 12.45 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 160.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -58.72 134.87 57.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.924 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -110.94 -73.88 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 110.371 171.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -153.06 170.0 21.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.06 -149.16 23.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 17.4 m-85 -63.81 174.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 111.011 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -90.09 135.95 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -91.81 -175.48 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -160.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -86.66 -31.21 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.022 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.98 114.51 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -150.7 139.81 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.444 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.1 tt -94.2 134.64 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.4 mm? -101.34 142.15 33.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 169.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -147.42 133.07 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 166.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' CE3' ' A' ' 71' ' ' TRP . 77.9 p -91.45 179.46 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -60.46 -45.09 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -3.9 57.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.4 m95 76.8 47.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.16 130.33 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 146.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.97 130.6 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -126.6 178.54 5.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 171.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -125.67 159.75 31.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 167.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.45 138.94 22.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 163.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.3 p -118.69 7.74 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.98 12.46 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 109.241 -164.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t60 62.34 68.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.0 46.01 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -100.37 -57.17 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 164.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -136.21 150.58 49.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -128.46 154.58 45.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.6 m -132.97 135.82 45.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 174.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -76.82 124.81 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 pt -107.13 -11.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--O 1.208 -1.107 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 158.494 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.25 94.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 110.332 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.38 149.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.5 mm -97.75 108.68 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 -168.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.99 49.45 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -105.18 169.32 8.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 163.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -67.57 -47.61 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.47 -36.88 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.89 -40.32 93.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -173.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.2 -37.98 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.342 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.46 81.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.27 -40.39 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -67.45 -31.71 72.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -68.16 -52.57 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.47 -35.67 63.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.232 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -72.23 -74.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -92.84 -9.32 40.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -164.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.45 44.78 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -164.61 175.87 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD11 ' CA ' ' A' ' 53' ' ' GLY . 49.7 mt -71.9 170.47 12.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 167.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.37 22.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.933 152.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.07 -8.25 59.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -165.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -82.55 -5.58 58.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -163.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.5 m-30 -97.35 134.99 39.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 pt -108.84 -174.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -105.74 160.9 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.76 -33.13 71.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -59.97 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 110.004 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.92 -56.3 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.02 -42.75 99.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -170.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.8 -38.69 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.55 -12.61 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.33 0.54 29.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 31.1 t90 -47.26 135.1 10.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 168.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.88 114.14 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 161.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.09 -31.72 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.346 173.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -86.99 -11.7 49.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.68 -13.76 19.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 171.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 84.93 8.82 81.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 165.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.92 40.28 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -148.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.15 -37.5 87.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -7.86 57.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.03 -33.73 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -174.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.2 m -89.24 -19.83 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 73.76 5.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.024 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.74 -17.13 39.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -101.99 161.88 13.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.766 . . . . 0.0 109.301 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -127.21 178.91 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.973 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mm -88.9 145.26 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 164.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.16 153.79 10.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.578 1.173 . . . . 0.0 110.987 168.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.486 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 99.5 -16.24 59.12 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.22 171.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.335 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mm -89.6 147.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -99.39 -35.18 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 65.56 78.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.12 77.57 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -83.99 -38.29 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.71 -18.35 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.56 33.41 25.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.46 -36.58 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 91.8 mt -89.72 163.99 30.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 167.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.0 -166.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 174.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.64 171.28 28.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 163.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -97.88 -73.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.352 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -165.65 -82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.51 -9.93 82.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 134.07 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.32 165.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.26 161.2 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 110.381 163.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.69 146.05 31.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -119.46 165.87 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.92 163.79 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.33 146.08 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 76' ' ' ILE . 75.3 m-20 -69.53 129.66 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 7' ' ' PHE . 27.3 mm -108.79 155.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 167.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 m120 66.02 11.12 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.04 127.19 13.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.8 p -117.43 -73.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 155.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -151.73 167.39 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.76 -145.52 15.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 163.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 39.3 m-85 -77.75 -174.0 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.048 -169.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -76.25 133.18 40.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.41 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -162.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 p -107.52 -36.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -172.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 112.28 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.226 170.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -146.92 140.88 25.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.428 ' C ' HD22 ' A' ' 89' ' ' LEU . 11.6 tt -90.73 129.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.2 mm? -98.88 134.15 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -148.19 130.76 15.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -102.13 169.6 8.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -65.23 -33.44 76.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -2.09 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.3 m95 79.1 42.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 163.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.16 146.27 26.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 149.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.63 135.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 168.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.51 176.13 7.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 160.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.4 pttp -124.81 162.68 23.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 169.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.45 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 164.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -126.95 13.8 7.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.14 15.37 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -166.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 60.46 70.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 54.63 46.57 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 166.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.22 -61.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 162.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.0 p -136.58 150.13 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 63' ' ' LEU . 40.4 m-85 -128.44 160.19 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -173.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -136.43 137.06 40.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -79.02 125.42 29.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -174.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' ARG . 44.7 pt -118.92 -11.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' ILE . 13.3 mtt85 . . . . . 0 C--O 1.209 -1.066 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -159.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -156.33 137.77 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.22 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.08 151.45 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 170.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.49 124.45 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -160.23 45.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 172.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -104.23 166.99 10.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 162.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 20.8 m-85 -66.97 -54.55 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -172.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -44.89 87.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.09 -37.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.583 0.813 . . . . 0.0 109.315 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.03 77.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.07 -41.63 94.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.02 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 20' ' ' LEU . 45.1 mt -68.58 -50.94 47.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -53.36 -34.34 57.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -72.89 -75.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -92.13 -11.5 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.941 -163.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 65.55 39.13 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.594 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -167.29 174.06 8.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 168.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 24' ' ' TYR . 54.5 mt -69.99 167.26 25.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 169.76 21.9 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.422 1.748 . . . . 0.0 110.969 154.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.96 -9.93 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.3 -3.68 57.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -164.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.2 m-30 -96.8 131.48 43.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 pt -119.17 147.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -79.32 153.99 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.87 -33.2 64.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -59.44 -54.71 43.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.93 -53.32 59.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.04 -55.12 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.51 -43.35 93.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.12 -37.26 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.79 -13.97 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.51 4.13 37.44 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.665 ' HB2' HG21 ' A' ' 45' ' ' VAL . 26.0 t90 -44.78 134.96 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 165.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.38 111.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 163.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.7 -36.17 15.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 171.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 t -73.29 -17.76 61.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.46 10.05 82.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 167.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -107.69 39.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.355 -144.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.77 -37.12 86.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.83 62.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 -32.07 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -169.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.5 m -89.43 -19.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.37 76.54 5.02 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.289 -169.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -168.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.93 -19.0 28.42 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -92.48 169.31 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 m -128.67 -176.38 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -87.48 152.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 160.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.84 151.13 7.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.23 -14.19 61.27 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.58 174.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.266 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.02 148.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.97 -43.08 8.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t 69.68 107.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' GLU . 10.7 t-20 -66.16 -54.42 25.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -172.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 57.87 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.372 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ASN . 77.4 mm-40 -77.47 -16.84 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -153.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.0 30.59 19.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -73.52 -41.13 63.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.741 . . . . 0.0 109.258 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 89.2 mt -91.33 163.31 29.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 165.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.96 178.06 7.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.82 170.8 12.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 166.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -125.72 172.83 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -63.79 97.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.14 -49.24 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -66.5 139.19 57.93 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 110.28 169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.57 161.79 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 174.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -120.72 144.89 48.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -118.81 166.7 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 167.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -129.48 159.69 35.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.2 148.58 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 76' ' ' ILE . 13.2 m-20 -72.36 129.66 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 7' ' ' PHE . 26.5 mm -107.88 160.67 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.37 1.044 . . . . 0.0 109.311 168.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 76' ' ' ILE . 16.1 m120 68.9 3.63 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 162.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -79.05 136.49 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -166.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -114.29 -75.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -151.44 157.19 42.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.97 -144.89 15.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 35.5 m-85 -69.21 173.6 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 111.073 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -82.15 146.89 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -107.43 -163.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -91.48 -40.3 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.062 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.67 122.61 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -144.38 148.24 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 170.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' LEU . 10.1 tt -92.64 132.39 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.256 168.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.23 141.11 33.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -148.12 131.45 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.5 p -84.41 179.35 7.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.06 -39.24 93.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -4.61 59.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.8 m95 75.46 49.0 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.2 mt -79.77 131.31 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.189 142.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.13 130.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -127.83 176.64 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 13.5 ptmt -128.0 162.32 27.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 170.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.1 145.61 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 164.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -121.77 10.56 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.65 16.67 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -159.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 61.14 63.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 57.76 42.12 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.978 162.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -100.13 -53.05 3.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 164.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.3 p -138.91 145.71 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -131.51 160.68 34.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -173.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.4 m -135.14 137.81 43.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -77.93 126.32 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.9 pt -110.13 -7.48 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 156.299 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -163.3 158.6 21.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.18 151.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.9 mt -122.03 102.72 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.304 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -158.35 52.34 0.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -109.09 171.81 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 157.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 76' ' ' ILE . 14.3 m-85 -67.14 -52.07 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.45 -36.39 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.371 1.044 . . . . 0.0 109.251 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.06 96.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.55 -39.19 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.92 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.5 -40.15 95.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -66.46 -32.44 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 HD23 ' A' ' 20' ' ' LEU . 42.0 mt -68.21 -49.58 59.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -53.6 -34.3 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -74.74 -70.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -94.95 -14.25 24.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 110.962 -165.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 m170 66.45 39.1 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.556 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -165.23 173.48 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD11 ' CA ' ' A' ' 53' ' ' GLY . 40.7 mt -70.42 167.39 26.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.65 24.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 111.042 151.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.09 -9.23 59.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -164.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -83.08 -3.71 57.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HD2' HD13 ' A' ' 20' ' ' LEU . 14.9 m-30 -94.65 134.46 37.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.1 pt -108.32 -178.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 168.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -102.33 162.23 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.69 -33.4 68.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -58.94 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -57.02 -49.33 76.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.56 7.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.05 -42.67 94.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -170.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -39.29 61.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.43 -14.22 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -174.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.76 2.38 34.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.1 . . . . 0.0 111.03 174.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.735 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.5 t90 -45.48 136.46 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 167.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.91 125.15 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 158.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.9 -28.68 24.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -106.89 11.86 29.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -101.54 -16.03 16.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 155.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.54 9.62 85.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.1 p-10 -106.7 33.11 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -146.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 51' ' ' ILE . 51.6 tp -65.45 -34.08 77.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.81 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.89 -33.97 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.7 m -89.22 -19.0 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.01 76.11 5.93 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 109.263 -174.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 117.44 4.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 -169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.36 -20.84 31.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.46 171.12 9.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 0.815 . . . . 0.0 109.303 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.2 m -135.39 179.23 6.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 4.0 mm -88.78 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 166.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.37 155.91 19.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 166.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.532 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 97.38 -16.59 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.9 171.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.87 149.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.7 t80 -105.6 -36.76 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.5 m 87.39 -35.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 166.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 44.8 t30 72.25 30.49 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 165.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 51.97 -141.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 144.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -46.97 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 154.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 160.63 46.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -54.4 -38.67 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 172.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 ' HG ' ' A' ' 89' ' ' LEU . 69.8 mt -89.37 160.98 41.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 171.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.99 178.1 7.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.89 -172.48 24.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -137.53 -71.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.3 t -169.93 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.12 87.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -62.89 143.35 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.31 161.11 28.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.417 169.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -122.19 147.38 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 107.979 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -122.86 166.93 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.344 167.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -125.37 164.75 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.31 145.7 20.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -72.63 128.52 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.689 HG22 ' OD1' ' A' ' 77' ' ' ASN . 28.7 mm -108.19 138.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.378 1.049 . . . . 0.0 109.382 171.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.689 ' OD1' HG22 ' A' ' 76' ' ' ILE . 19.2 m120 67.92 12.84 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 161.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -69.63 133.76 47.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -111.01 -73.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -151.9 165.8 33.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.957 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.5 -144.17 17.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.8 m-85 -77.14 166.43 23.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 0.74 . . . . 0.0 110.999 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.7 mtp-105 -85.09 134.62 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -91.85 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -165.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -30.44 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 112.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -148.95 139.68 22.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.497 ' C ' HD22 ' A' ' 89' ' ' LEU . 12.6 tt -92.92 134.92 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -104.07 138.75 40.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.44 132.74 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.94 170.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.1 p -93.46 176.36 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -59.29 -43.88 92.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.31 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -173.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 62.7 m95 76.4 48.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.38 127.91 32.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 145.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 mt -124.35 131.74 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.32 177.39 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -127.23 161.92 27.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.4 140.84 18.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.391 166.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 p -125.78 17.09 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.36 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.71 11.75 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 61.78 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 58.97 43.35 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 165.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -100.15 -53.53 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 165.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.2 p -139.17 151.04 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.42 155.93 43.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -129.09 135.9 49.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.399 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -81.72 124.48 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.1 pt -109.22 -11.35 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.386 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 152.214 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 164.65 38.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.97 150.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.08 97.41 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.218 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -148.89 33.17 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -99.3 161.9 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 171.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 76' ' ' ILE . 26.6 m-85 -60.36 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.22 -39.38 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.55 -43.03 93.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.26 -37.52 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.92 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.81 -41.87 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.24 -29.5 70.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 19' ' ' LYS . 22.1 mt -68.92 -51.35 40.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.32 -34.51 64.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -72.96 -75.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -91.74 -7.52 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -164.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m170 62.95 44.04 6.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.2 pttt -164.77 175.87 9.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 169.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 24' ' ' TYR . 69.1 mt -68.34 172.89 3.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 169.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.59 26.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 150.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.28 49.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.97 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.331 163.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.5 m-30 -92.52 134.18 35.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 pt -119.14 148.17 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.3 p -77.45 154.05 32.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -56.74 -32.88 66.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -58.41 -58.22 9.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -56.33 -51.86 66.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.71 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -59.62 -43.39 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -171.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.97 -13.88 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.28 7.97 39.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 19.4 t90 -43.59 132.91 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 163.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.29 96.44 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 168.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -41.67 -42.71 2.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 168.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -32.09 69.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -174.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -103.29 -10.39 18.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.82 11.27 79.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 168.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -97.74 41.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 -153.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.21 -39.49 92.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.12 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -30.27 13.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -170.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 35' ' ' TRP . 15.4 m -89.48 -20.42 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 176.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.13 74.41 5.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -168.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.21 33.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.409 1.068 . . . . 0.0 110.989 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.3 169.77 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.2 m -133.02 -177.98 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.92 153.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 164.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.76 157.37 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.98 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.3 -14.95 63.01 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.73 172.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -90.78 153.96 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 173.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -113.99 141.62 47.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -165.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.16 35.31 24.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -79.63 -44.15 21.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.55 -33.78 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 36.28 39.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.66 -34.99 76.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 ' HG ' ' A' ' 89' ' ' LEU . 72.6 mt -89.65 161.81 38.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 166.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.0 172.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.32 179.96 23.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -132.01 -69.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -172.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -174.22 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.56 91.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.083 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 143.78 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 110.341 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.18 161.76 25.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 171.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -120.3 150.38 40.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 108.023 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -122.39 166.46 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.239 166.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.33 159.74 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -151.24 150.81 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 87' ' ' ARG . 8.4 m-20 -75.2 130.09 38.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.1 mm -110.25 144.74 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 76' ' ' ILE . 71.9 m-20 67.27 11.41 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 161.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.43 134.7 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -111.33 -73.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -152.93 166.61 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.85 -143.91 16.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 23.8 m-85 -68.05 178.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.974 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -82.26 140.44 33.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -98.8 -170.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 -167.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -81.65 -33.91 31.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.936 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -63.89 116.82 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -178.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 86' ' ' ASP . 4.9 mmm180 -144.88 134.05 22.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.633 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 11.3 tt -90.29 133.78 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -103.87 140.81 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 168.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -150.29 130.49 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 111.028 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.9 p -91.44 178.72 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 109.986 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.77 -2.81 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.6 m95 78.41 43.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 168.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.98 126.88 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 148.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -124.46 130.55 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.82 174.6 9.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 60.8 pttt -120.56 162.54 19.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 168.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 135.1 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 160.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.2 p -120.19 20.47 12.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 110.371 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 21.01 3.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.245 -170.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 58.63 65.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.585 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 54.33 47.1 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -100.23 -57.4 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 166.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 p -137.33 146.33 44.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -126.72 149.16 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.08 . . . . 0.0 110.973 -170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 76.1 m -129.63 145.93 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -91.04 113.02 25.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -164.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 110' ' ' ARG . 33.5 pt -106.42 -10.47 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -167.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 109' ' ' ILE . 9.9 mtm180 . . . . . 0 C--O 1.208 -1.114 0 O-C-N 124.475 1.11 . . . . 0.0 110.242 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.97 140.62 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.226 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.14 150.45 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 mm -99.55 98.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -173.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -156.26 40.92 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -101.25 163.2 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 165.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 m-85 -60.83 -52.01 66.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.47 -35.34 53.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.33 90.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.585 1.178 . . . . 0.0 110.976 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.83 -37.14 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.54 83.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.9 -38.12 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -68.37 -29.91 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.29 -50.37 40.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -52.85 -34.52 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -74.94 -74.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.78 -9.98 41.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -165.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.0 m170 63.05 41.56 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -162.13 173.15 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 169.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 24' ' ' TYR . 72.7 mt -66.85 172.27 3.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 171.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.43 29.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 151.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.18 -6.43 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -165.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -80.79 -7.82 59.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -165.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' HD2' HD13 ' A' ' 20' ' ' LEU . 13.7 m-30 -96.57 132.2 42.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 110.947 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -118.97 146.7 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -78.24 153.58 31.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.366 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -57.22 -31.66 65.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -60.71 -54.81 40.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -57.91 -54.14 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.271 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -59.56 -43.17 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -170.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -12.64 60.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.01 0.94 30.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.724 ' HB2' HG21 ' A' ' 45' ' ' VAL . 30.0 t90 -47.38 135.78 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 168.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.27 115.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 160.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -48.14 -32.85 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -82.49 -14.48 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.002 -172.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.61 -13.26 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 83.77 8.86 83.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 165.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -106.89 38.45 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 -148.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.94 -35.31 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.84 -7.63 59.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -33.29 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.7 m -89.35 -20.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 74.7 5.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.55 4.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 110.971 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.22 -16.37 35.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 0.715 . . . . 0.0 109.327 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 m -131.83 -174.83 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.94 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mm -91.47 154.48 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 164.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.02 160.46 14.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 169.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.88 -13.2 65.37 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.95 172.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 0.815 . . . . 0.0 109.266 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -90.04 148.89 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 168.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' SER . 14.4 t80 -99.86 -31.56 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 2.1 t 86.27 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.92 166.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.39 29.21 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 159.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -67.65 -26.77 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.37 -24.11 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.22 28.01 70.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -83.64 -37.73 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.3 mt -89.04 161.96 39.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 172.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.99 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.19 144.56 18.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -132.37 167.35 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 109.291 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -74.65 79.92 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.959 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.1 -45.41 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -57.6 130.67 47.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.33 164.56 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 171.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 64' ' ' PRO . 94.2 m95 -122.87 146.61 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 107.968 171.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 167.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.24 160.23 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -150.26 153.27 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 175.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -77.65 129.62 35.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.603 HG21 ' CD2' ' A' ' 7' ' ' PHE . 38.5 mm -109.97 149.84 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 68.38 4.51 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 162.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -79.85 136.11 36.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -167.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.6 p -116.36 -73.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.385 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.2 p -143.16 159.94 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.71 -142.57 17.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 111.02 167.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 37.6 m-85 -88.92 -175.38 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.68 134.6 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -112.8 -163.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -163.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -119.05 -31.81 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -165.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 112.25 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 165.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -148.67 136.3 20.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 9.7 tt -91.48 132.96 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.242 173.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -104.01 138.08 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 169.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -146.9 131.11 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -89.08 177.58 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -67.78 -39.36 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -2.65 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -175.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.9 m95 79.52 44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 107.996 165.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.5 126.41 30.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 148.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.21 130.24 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -133.46 176.56 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 172.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 16.1 ptmt -126.89 162.18 26.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 170.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.3 147.3 26.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 165.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.9 p -127.78 16.0 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 -174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.27 32.14 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -167.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 t60 55.28 62.79 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.521 172.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 53.84 53.73 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -100.84 -65.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.6 p -128.4 147.49 50.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -129.41 151.8 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -131.37 144.02 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -88.3 121.24 30.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -167.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.8 pt -121.91 7.33 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.211 -173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 C--O 1.208 -1.088 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 169.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 100.6 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.56 150.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.23 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -160.11 55.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 173.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.66 172.43 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 157.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.666 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.8 m-85 -67.82 -50.52 56.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.42 -40.72 99.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.0 t -76.94 -38.8 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.01 83.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.41 -44.1 83.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -66.32 -27.96 68.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -173.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.94 -53.27 21.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.68 -33.35 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -72.55 -75.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -92.04 -12.57 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -164.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 m170 67.94 37.37 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.595 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -167.93 172.09 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 24' ' ' TYR . 44.4 mt -72.19 168.0 27.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.76 31.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 152.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.27 52.23 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.505 1.128 . . . . 0.0 109.233 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -113.18 -7.22 13.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 161.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.496 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.6 m-30 -94.19 132.94 38.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 pt -119.24 148.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -78.86 154.25 29.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -56.06 -33.04 64.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -58.78 -56.54 20.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.064 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -56.93 -52.54 64.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.44 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -59.79 -43.37 94.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.57 -37.24 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.77 -13.54 60.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.6 4.15 34.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 172.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' HG21 ' A' ' 45' ' ' VAL . 25.7 t90 -45.69 135.06 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 165.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 109.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 163.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.669 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -45.51 -39.54 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 170.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -66.71 -26.27 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -100.74 -10.1 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 9.73 84.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.026 164.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -104.58 38.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -150.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.83 -37.21 85.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 -12.13 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -31.68 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -171.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.0 m -89.31 -19.77 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.11 75.1 5.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -170.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -169.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.09 -14.05 48.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -88.19 172.73 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.264 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.9 m -134.85 -178.84 5.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -86.81 154.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 163.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.74 154.72 9.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 169.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 95.09 -11.99 68.78 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.03 172.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.8 . . . . 0.0 109.317 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.33 153.71 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -114.42 -37.83 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t 89.14 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 161.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.85 58.59 2.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 171.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -21.39 57.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 170.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.94 -28.96 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 23.71 70.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -81.5 -31.76 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD11 ' HG ' ' A' ' 89' ' ' LEU . 76.8 mt -89.7 161.53 38.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 162.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.0 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.29 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 174.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -126.17 -78.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -165.18 -52.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -172.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.1 -37.94 95.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.19 134.61 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 110.326 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.86 163.54 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 174.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -124.04 145.71 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 173.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -125.64 163.14 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 170.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.37 159.17 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.66 150.0 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 76' ' ' ILE . 82.1 m-20 -72.29 131.16 42.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.666 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -110.1 141.84 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 168.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 76' ' ' ILE . 61.2 m-20 67.35 11.97 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.24 160.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -67.26 134.9 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.0 p -110.24 -74.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -154.73 167.57 29.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.24 -142.62 19.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 31.4 m-85 -69.88 173.01 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 110.929 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -88.1 142.67 27.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.199 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -92.48 -173.03 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -82.13 -32.98 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 117.25 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -148.42 142.72 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.2 tt -94.21 132.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 174.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.625 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.1 mm? -99.15 142.08 31.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -148.08 132.06 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 167.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.9 p -89.47 176.68 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -65.19 -39.77 93.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -3.58 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 61.8 m95 75.74 46.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.84 129.6 34.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 145.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mt -124.76 130.6 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.43 175.07 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 7.0 pttm -120.23 162.58 19.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 166.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.5 133.39 15.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 160.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 p -116.67 18.92 14.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -145.73 28.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.7 t60 57.59 60.95 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.587 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.76 38.55 21.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 169.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -92.36 -50.09 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -137.75 153.82 49.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -126.54 151.94 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -130.52 144.56 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.41 117.38 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' ARG . 29.7 pt -110.52 -12.56 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -167.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' ILE . 10.1 mtm180 . . . . . 0 C--O 1.208 -1.104 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -76.03 154.08 35.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.8 151.62 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.336 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.23 103.62 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -154.78 37.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -97.98 160.07 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HG21 ' A' ' 76' ' ' ILE . 12.7 m-85 -58.07 -54.67 44.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.39 -41.22 63.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -172.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.42 97.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.89 -40.87 77.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.97 89.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.9 -42.5 81.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.32 -29.82 70.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.16 -51.57 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -54.3 -32.51 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -76.03 -77.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.455 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.86 -12.22 39.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -164.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 m170 65.14 43.36 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.18 172.44 16.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 171.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 53' ' ' GLY . 57.8 mt -71.32 171.64 8.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 169.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 150.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.16 -9.79 59.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -163.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -82.6 -6.26 59.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -162.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.7 m-30 -92.57 136.79 32.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 pt -109.46 -175.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.0 p -104.32 164.01 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.408 170.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -59.4 -33.92 71.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -59.26 -60.13 4.35 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.26 -48.45 78.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.58 -55.64 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.95 -42.8 94.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.614 1.196 . . . . 0.0 110.22 -171.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.93 63.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.55 -14.42 60.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.94 1.83 31.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.726 ' HB2' HG21 ' A' ' 45' ' ' VAL . 34.1 t90 -46.07 136.61 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 167.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.14 125.05 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 158.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.18 -29.83 24.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -105.88 11.99 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -101.55 -16.13 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 155.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.78 9.63 85.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 170.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 25.7 p-10 -106.95 32.56 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.358 -145.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD21 HG12 ' A' ' 51' ' ' ILE . 51.2 tp -64.24 -34.73 78.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.04 59.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -97.51 -33.26 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.6 m -89.2 -19.51 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.79 77.39 5.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.34 55.88 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.22 172.14 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.361 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.6 m -139.66 177.83 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HD21 ' A' ' 42' ' ' LEU . 5.0 mm -86.71 148.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 167.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 178.86 153.89 12.14 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.499 1.125 . . . . 0.0 111.06 167.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 96.91 -14.43 63.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.46 171.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.266 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.12 151.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' SER . 9.0 t80 -112.93 -30.67 6.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.999 171.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t 96.86 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.058 153.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 55.22 56.56 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.88 -37.34 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.23 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -79.16 -23.45 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -173.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.19 32.73 42.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -83.97 -32.24 25.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -174.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.1 mt -89.02 160.56 43.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 164.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.96 -168.43 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.416 1.745 . . . . 0.0 110.968 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.39 167.59 13.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 158.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.21 -107.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.322 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.2 m -153.81 -60.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 -158.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -30.59 74.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.5 ' NH1' ' CD1' ' A' ' 71' ' ' TRP . 2.2 ttp85 -49.6 133.25 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 110.298 158.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -112.69 163.7 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 161.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 93.9 m95 -108.69 147.37 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 171.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -121.84 165.01 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 169.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.56 166.01 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.36 146.77 21.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -70.03 129.71 40.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.665 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.3 mm -108.02 139.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.48 ' CG ' HG22 ' A' ' 76' ' ' ILE . 57.6 m-20 68.04 12.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 159.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.72 134.7 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -109.82 -72.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.446 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.2 p -151.41 165.26 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.94 -143.38 16.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 48.0 m-85 -78.66 166.16 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -86.58 136.25 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -92.97 -173.67 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -164.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 p -87.66 -28.64 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.31 113.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -151.73 135.25 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -92.04 132.21 37.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 177.259 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -101.58 139.6 37.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 169.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -149.72 132.71 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 167.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -90.25 174.6 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -73.22 -30.63 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -3.02 58.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 m95 77.91 44.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.009 163.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.62 142.48 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 149.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 4.6 mt -127.11 133.86 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.109 . . . . 0.0 109.225 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.66 176.61 8.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 164.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -126.81 165.66 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 171.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.27 142.95 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 165.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 p -120.49 7.07 10.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.2 9.01 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -162.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 64.34 66.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.591 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 59.56 41.6 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 166.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -100.07 -51.06 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 166.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 p -141.19 149.49 41.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.464 ' CD2' HD21 ' A' ' 63' ' ' LEU . 42.3 m-85 -126.91 154.92 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.0 m -128.41 137.08 51.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.25 122.49 27.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.589 1.181 . . . . 0.0 109.337 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.3 pt -117.16 4.87 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.068 . . . . 0.0 109.34 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 13.6 mmm180 . . . . . 0 C--O 1.208 -1.115 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 156.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -133.65 158.25 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.17 150.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mm -99.23 93.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -147.78 30.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 p -97.17 159.96 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CD2' HG21 ' A' ' 76' ' ' ILE . 17.4 m-85 -58.46 -54.18 49.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.065 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.16 -41.06 77.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -43.38 88.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.49 -38.19 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.46 76.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.35 -38.88 88.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.64 -31.0 70.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.74 -49.06 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.23 -33.94 59.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.1 m -74.1 -74.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.467 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.56 -12.95 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -164.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 64.71 39.53 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.95 169.33 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 170.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.42 170.46 5.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.97 33.21 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.929 150.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -81.57 53.25 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 175.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.97 -7.46 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 160.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -99.32 137.14 38.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.1 pt -111.79 -175.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -106.83 164.72 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 167.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.53 -33.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.7 p -58.44 -59.44 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.59 -47.68 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.87 -56.53 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.39 -42.96 92.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 0.0 110.374 -171.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.7 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.31 -14.24 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 4.79 37.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.694 ' HB2' HG21 ' A' ' 45' ' ' VAL . 28.2 t90 -45.01 135.27 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 165.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.98 112.34 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 162.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.24 -36.31 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 171.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.5 t -74.31 -20.66 60.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 110.033 -173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.4 -10.45 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.25 9.5 85.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 164.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -105.4 38.08 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -149.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.89 -36.96 85.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.54 -9.35 59.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -32.68 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.4 m -89.08 -19.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.12 75.45 5.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -172.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.68 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -171.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.47 -15.41 53.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.49 169.82 9.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.5 m -139.97 176.49 8.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -86.25 139.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.08 147.75 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.1 -14.69 64.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.25 173.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -90.02 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -102.79 137.78 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 p -72.78 83.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -77.31 68.64 3.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -94.5 -50.42 5.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -76.04 -23.4 55.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.89 41.62 27.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -68.65 -34.7 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD11 ' HG ' ' A' ' 89' ' ' LEU . 73.6 mt -89.71 161.48 38.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 168.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.99 -178.87 4.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.07 171.86 12.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 166.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -123.61 174.94 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -67.34 89.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.942 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.11 -48.93 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -62.47 137.12 58.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.249 167.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.92 162.72 15.02 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 174.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -121.73 144.43 48.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 108.021 174.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -118.31 167.06 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -125.49 166.79 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -156.76 144.43 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.59 128.44 35.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.712 HG21 ' CD2' ' A' ' 7' ' ' PHE . 30.2 mm -106.95 141.92 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 170.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' CG ' HG22 ' A' ' 76' ' ' ILE . 58.7 m-20 68.53 11.43 8.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 160.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -67.17 135.61 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -108.68 -73.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 p -153.56 162.89 40.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.93 -144.8 17.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 38.4 m-85 -73.27 172.57 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -75.62 147.23 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 172.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.17 -160.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -158.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -100.16 -39.03 8.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 121.71 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.244 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.8 142.0 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 76' ' ' ILE . 12.6 tt -94.64 128.63 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 166.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.7 mm? -98.51 144.01 28.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -151.11 132.25 14.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 166.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.6 p -84.57 178.19 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -62.67 -39.95 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.93 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -4.45 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -172.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.7 m95 75.77 48.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.81 127.84 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 143.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.14 129.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -127.95 177.92 6.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -128.64 163.61 24.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.09 139.51 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.471 165.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.5 p -124.52 17.04 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 15.61 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -167.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.7 t60 62.67 67.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 56.71 40.61 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 164.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -100.1 -59.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 168.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 p -134.72 146.29 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.451 -174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.36 155.14 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.6 m -129.91 136.06 49.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.06 120.25 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 pt -106.79 -8.2 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -171.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.209 -1.065 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 157.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.28 137.23 12.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.95 150.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -93.69 104.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -170.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -155.31 35.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -100.29 162.03 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 11.9 m-85 -62.32 -54.5 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.17 -39.71 75.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -173.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.79 87.29 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.21 -38.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 0.812 . . . . 0.0 109.285 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.08 73.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.83 -39.43 90.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -173.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.63 -33.32 75.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 HD23 ' A' ' 20' ' ' LEU . 29.0 mt -69.4 -49.06 58.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.87 -36.69 62.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 m -73.33 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.6 -12.27 25.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.51 41.58 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 9.3 ptmm? -164.99 172.97 12.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 172.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 53' ' ' GLY . 53.4 mt -72.13 169.32 16.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.34 25.06 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 151.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -80.29 -6.53 58.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -164.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.28 -6.63 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 20' ' ' LEU . 16.5 m-30 -97.46 134.81 40.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 pt -107.63 -174.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -103.98 164.28 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 168.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -58.88 -34.26 71.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -58.91 -59.21 5.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.29 -48.69 78.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.01 -55.52 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.4 -42.32 95.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.49 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.58 -13.95 60.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.395 1.059 . . . . 0.0 109.315 -173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.14 2.68 36.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 45' ' ' VAL . 33.9 t90 -45.69 136.18 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 167.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.84 125.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 159.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.83 -29.9 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -109.13 16.74 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -102.17 -16.45 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 151.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.49 9.74 84.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 170.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.424 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.5 p-10 -106.26 32.4 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -145.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.17 -35.6 81.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.6 -12.74 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.85 -32.77 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 -171.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB2' ' A' ' 35' ' ' TRP . 18.0 m -89.19 -19.34 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.09 78.34 4.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 123.33 7.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -14.85 59.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -96.68 170.09 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -138.05 -179.79 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -86.2 148.09 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 166.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 74' ' ' ALA . . . 177.77 149.46 7.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 165.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 101.66 -12.47 58.01 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 172.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.33 150.43 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 174.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 58' ' ' ASN . 5.6 t80 -97.38 -43.07 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 176.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t 63.1 97.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.902 -173.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' HA ' ' CE2' ' A' ' 56' ' ' PHE . 41.3 t30 -68.26 -52.05 38.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -165.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 77.55 -71.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 162.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -83.92 -15.34 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -165.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.64 31.06 25.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.618 1.199 . . . . 0.0 111.03 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -76.43 -42.29 44.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD11 ' HG ' ' A' ' 89' ' ' LEU . 80.8 mt -89.81 162.31 36.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.14 -178.7 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -124.65 -72.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -171.95 -47.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -173.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.18 -33.74 86.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 173.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 134.56 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 0.816 . . . . 0.0 110.281 172.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.24 160.41 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -119.81 145.78 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -121.21 165.19 15.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.03 165.76 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . . . -154.88 151.85 29.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 169.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -73.3 129.65 38.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.3 mm -107.56 158.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 169.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.68 4.08 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.334 158.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -77.95 137.97 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -170.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -115.7 -73.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 170.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p -151.05 168.53 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.1 -145.84 18.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 43.0 m-85 -74.59 168.23 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -87.27 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.35 -173.82 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -166.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 m -86.66 -28.0 23.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.954 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.66 118.52 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 174.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -148.94 140.32 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 13.5 tt -91.06 132.49 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 174.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -102.08 139.04 38.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 20' ' ' LEU . 18.3 p90 -147.66 131.37 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.6 p -88.52 177.24 6.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -64.3 -42.38 96.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -3.9 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -174.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 68.3 m95 75.35 53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 107.982 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.2 mt -82.66 143.95 30.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.404 140.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.36 132.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -126.35 175.4 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 165.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 57.0 pttt -123.83 162.82 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 169.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.09 141.97 22.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.413 164.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -125.64 19.61 7.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.92 24.9 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -170.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 59.06 63.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.564 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 56.08 47.97 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -99.96 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 164.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.4 p -135.8 150.66 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.398 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.75 155.83 44.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.3 m -133.6 138.69 46.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.76 120.62 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt -108.59 -9.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.208 -1.093 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 160.644 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -154.85 136.85 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.04 151.23 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.19 116.16 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.95 44.93 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -105.79 169.12 8.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 164.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' CD2' HG21 ' A' ' 76' ' ' ILE . 16.9 m-85 -66.51 -51.88 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.47 -40.9 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.7 98.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -77.95 -39.39 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 109.275 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.61 70.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.34 -44.21 92.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.79 -29.34 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.49 -51.1 39.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -54.93 -34.53 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.6 m -71.17 -76.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -90.44 -11.92 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -163.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.4 m170 66.85 38.97 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -165.62 173.0 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 24' ' ' TYR . 58.6 mt -69.7 169.37 12.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.56 24.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 151.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.04 -9.49 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -164.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.19 -4.98 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -163.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HD2' HD13 ' A' ' 20' ' ' LEU . 11.6 m-30 -93.95 133.62 37.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -117.91 154.22 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -82.89 156.81 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.47 -32.12 62.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -58.2 -60.31 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 174.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -55.98 -50.52 70.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.09 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.61 -42.94 93.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.0 -38.38 65.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.5 -14.57 60.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.205 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.0 35.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 111.027 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.72 ' HB2' HG21 ' A' ' 45' ' ' VAL . 32.2 t90 -45.94 135.88 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 166.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.92 118.02 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 160.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -47.9 -33.8 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 173.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -91.62 -2.97 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -171.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -100.53 -13.58 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.317 165.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 81.14 9.17 86.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 167.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -106.71 36.74 2.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.276 -147.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.94 -36.93 85.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.73 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -33.55 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -174.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.9 m -89.36 -19.48 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.02 74.04 5.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.29 4.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 -169.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.23 -20.53 32.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.95 166.61 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 109.297 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -123.99 -177.95 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 -175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.85 150.05 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 159.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.33 152.96 9.17 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.547 1.154 . . . . 0.0 111.066 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.28 -14.54 62.25 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.41 172.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -89.89 152.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -101.9 -44.71 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 172.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t 68.89 116.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -68.21 99.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -77.02 129.0 35.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.609 1.193 . . . . 0.0 110.304 169.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 77.92 -3.55 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 149.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.53 32.8 59.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -74.0 -46.17 45.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.327 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' A' ' 89' ' ' LEU . 74.7 mt -89.81 161.16 39.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 166.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.95 179.91 5.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.58 -178.07 16.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -127.91 -74.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -171.0 -49.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -172.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.34 95.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 173.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -67.43 140.2 57.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 110.236 173.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.65 160.26 26.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 175.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -120.92 144.84 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -124.23 164.73 18.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.374 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -126.0 164.34 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -154.56 151.32 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -73.26 129.52 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.647 HG21 ' CD2' ' A' ' 7' ' ' PHE . 36.4 mm -108.7 144.79 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 169.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.449 ' CG ' HG22 ' A' ' 76' ' ' ILE . 70.9 m-20 66.93 13.66 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 164.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -55.27 132.67 48.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 69.5 p -113.31 -73.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 163.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.9 p -156.22 162.87 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.62 -143.67 16.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 44.7 m-85 -75.39 170.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -175.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -79.32 143.98 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -108.94 -163.89 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -164.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 p -93.59 -38.53 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.72 114.25 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -149.87 137.09 19.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.42 ' C ' HD22 ' A' ' 89' ' ' LEU . 16.3 tt -90.16 131.23 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 177.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.5 mm? -100.29 140.58 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 169.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -147.93 132.55 17.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 167.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -85.13 173.57 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 p -59.84 -40.99 90.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -2.94 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 -173.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 77.87 45.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.46 124.33 28.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 146.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.87 130.25 74.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 -172.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -131.85 178.96 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 55.6 pttt -127.41 161.61 28.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 168.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.94 139.64 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 162.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -122.88 21.76 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.14 23.69 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -169.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 56.1 64.19 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 57.25 47.1 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -100.1 -53.76 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 165.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.0 p -141.54 148.34 39.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.443 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -128.29 154.18 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.9 m -133.71 143.07 48.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -88.08 120.9 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 -169.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.2 pt -122.54 7.91 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -172.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 . . . . . 0 C--O 1.208 -1.086 0 O-C-N 124.45 1.093 . . . . 0.0 110.337 167.03 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -156.23 112.79 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.87 151.24 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.05 . . . . 0.0 109.297 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 mt -128.71 115.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -160.06 48.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -109.75 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.417 157.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.1 m-85 -68.64 -52.28 33.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.7 -36.94 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.18 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.16 -39.27 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.272 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.95 87.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.32 -40.37 85.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 -174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.41 -31.14 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 HD21 HD23 ' A' ' 20' ' ' LEU . 48.1 mt -68.34 -51.77 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -53.04 -33.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -74.73 -75.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.86 -13.76 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -164.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.1 m170 66.69 38.44 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.569 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -162.6 170.81 17.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 171.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 24' ' ' TYR . 52.0 mt -70.76 168.02 23.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 153.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.11 -9.59 59.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -164.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -82.31 -5.11 58.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -164.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 20' ' ' LEU . 12.0 m-30 -94.75 134.31 37.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -116.96 160.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -87.83 156.95 19.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -55.52 -31.75 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.2 p -59.07 -58.98 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.66 -50.75 71.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.14 -55.72 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -59.61 -42.85 93.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -170.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.47 -38.98 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.91 -14.19 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.0 3.77 39.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.727 ' HB2' HG21 ' A' ' 45' ' ' VAL . 29.7 t90 -44.91 136.07 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 166.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.92 120.93 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 160.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -52.46 -30.19 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 t -98.56 5.57 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.067 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.44 -15.62 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 159.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.17 9.4 85.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 169.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -107.97 35.46 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.353 -144.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.37 -35.57 79.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.61 -10.86 59.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.349 -172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.74 -33.2 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -173.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.1 m -89.35 -19.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.23 75.54 5.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -171.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.059 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.67 -17.79 38.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.59 170.64 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.8 m -134.48 -179.48 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mm -84.61 148.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 164.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.38 153.33 11.22 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 170.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' CA ' HD11 ' A' ' 20' ' ' LEU . . . 94.76 -16.09 61.97 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.35 173.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 mm -89.09 150.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.82 -43.12 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 170.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t 70.83 111.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.965 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -75.33 78.86 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -88.94 -32.38 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.84 -22.36 25.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 110.311 -168.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.12 27.79 63.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.85 -42.12 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 89' ' ' LEU . 79.6 mt -89.77 162.63 35.37 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.98 110.5 3.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.64 148.02 16.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -139.8 166.23 25.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -73.29 77.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.61 -45.11 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.33 135.78 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 162.82 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -121.0 145.72 47.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -120.51 166.18 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 167.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -123.02 168.98 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB3' ' CG2' ' A' ' 88' ' ' ILE . . . -159.91 145.9 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 173.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -72.34 128.82 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 7' ' ' PHE . 37.0 mm -108.44 145.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 170.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CG ' HG22 ' A' ' 76' ' ' ILE . 64.9 m-20 68.01 9.67 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -75.13 138.81 42.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.6 p -112.75 -73.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.404 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 p -149.58 162.26 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.86 -145.05 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 45.8 m-85 -79.04 168.41 19.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.99 -176.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -75.87 148.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.3 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -112.49 -159.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -154.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 p -103.79 -41.38 5.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 117.41 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.74 134.81 22.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -176.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.599 ' CG2' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -91.17 130.65 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 173.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 63' ' ' LEU . 2.0 mm? -102.52 139.21 38.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -147.91 133.76 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 167.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -88.02 176.4 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.019 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -66.4 -37.02 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 -3.83 59.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -175.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 69.2 m95 75.38 51.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 168.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.4 mt -81.21 145.9 30.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 141.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.9 mt -130.57 134.01 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.299 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -126.6 175.67 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 20.9 pttm -123.08 168.23 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.19 136.83 13.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 165.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 p -121.4 22.0 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -152.85 35.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -170.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 60.72 59.51 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.634 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 60.35 24.65 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 163.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.378 174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -136.03 148.84 48.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 18.6 m-85 -128.24 157.76 40.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.8 m -137.11 136.48 38.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -73.42 131.9 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.8 pt -118.35 -30.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 162.174 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -157.21 137.35 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.49 150.83 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.9 93.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.375 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -158.61 51.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -111.8 173.87 6.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 156.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 76' ' ' ILE . 24.9 m-85 -68.02 -53.0 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.91 -35.34 72.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -43.08 97.01 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -175.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -77.94 -38.38 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -51.09 65.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.7 -40.19 92.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -64.7 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 19' ' ' LYS . 27.9 mt -70.05 -50.22 43.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -54.54 -31.3 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -75.31 -74.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -91.33 -9.74 43.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -165.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 m170 65.73 37.05 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.574 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.1 pttp -165.96 174.44 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 171.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.68 168.41 12.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 171.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 149.54 37.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 149.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.18 59.24 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -112.84 -10.01 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 154.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.61 132.78 45.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -117.25 148.25 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 p -77.46 154.94 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -54.72 -34.07 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 p -60.21 -55.64 31.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.74 -52.86 63.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.06 -54.91 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -58.65 -43.73 89.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 -171.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.82 67.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.05 -14.44 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.43 4.48 34.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.687 ' CZ2' ' HB2' ' A' ' 37' ' ' ALA . 27.8 t90 -45.37 135.24 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.86 110.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 162.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.687 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . . . -46.5 -34.96 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 171.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -74.83 -23.71 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.93 -9.21 21.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . 82.46 8.78 85.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 163.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.19 37.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.283 -150.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 51' ' ' ILE . 46.0 tp -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.76 -8.44 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -172.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.19 -33.53 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 35' ' ' TRP . 17.8 m -89.2 -18.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.18 74.24 5.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -171.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.87 -18.86 39.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -88.95 173.41 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.343 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -136.84 178.85 6.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 42' ' ' LEU . 2.8 mm -89.22 145.9 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.26 147.07 6.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.94 67.22 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -174.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.99 164.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.774 . . . . 0.0 109.33 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.43 148.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 166.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 63' ' ' LEU . 2.1 t80 -110.87 -34.75 6.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 169.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 56' ' ' PHE . 4.9 t 68.2 -160.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 -170.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -159.86 52.42 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -77.42 -33.88 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.13 -36.78 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.05 78.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 110.996 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -82.97 -38.07 23.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 89' ' ' LEU . 70.7 mt -89.48 161.22 40.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.07 179.22 6.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.952 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 140.08 179.74 18.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -124.82 -77.16 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -163.27 -52.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.95 -29.6 73.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -61.48 146.93 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 162.33 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 169.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 63' ' ' LEU . 87.7 m95 -123.19 151.31 42.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -124.22 165.98 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 167.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.41 165.72 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.68 149.8 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -71.65 129.44 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.351 -177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 7' ' ' PHE . 31.8 mm -108.01 142.27 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.47 ' CG ' HG22 ' A' ' 76' ' ' ILE . 60.2 m-20 67.67 11.22 8.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 161.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -71.37 138.19 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.5 p -111.41 -72.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -147.88 162.92 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.94 -144.13 16.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 50.7 m-85 -79.65 169.29 18.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.984 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -74.92 144.12 43.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.25 -162.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -162.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 m -97.4 -38.79 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 116.71 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -150.71 137.71 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.359 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.07 131.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 177.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 63' ' ' LEU . 1.8 mm? -102.85 141.18 36.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -148.75 131.09 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 167.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.8 p -86.13 -179.69 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.067 . . . . 0.0 109.941 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 p -62.14 -46.8 87.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -83.37 -3.62 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -172.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 93' ' ' ASP . 66.6 m95 78.84 49.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 108.025 172.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.12 122.07 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 147.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 110' ' ' ARG . 5.3 mt -123.67 128.58 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -169.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -136.11 177.25 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 19.0 pttp -128.07 162.32 27.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 167.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.72 137.97 24.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 162.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 p -117.53 5.19 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -125.2 13.98 8.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 -164.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 62.85 68.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 53.51 48.74 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 166.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -100.3 -57.91 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 162.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -137.25 153.25 50.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' LEU . 24.4 m-85 -130.2 154.28 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -174.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -130.84 142.11 50.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -88.9 122.59 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 -166.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.3 pt -122.7 10.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -172.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 40.7 mtp180 . . . . . 0 C--O 1.209 -1.069 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 169.626 . . . . . . . . 1 1 . 1 stop_ save_