data_2n9i_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 2n9i _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.120000000000005 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.019999999999996 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 111.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.230000000000004 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.310000000000002 109.32 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 75.230000000000004 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 62.210000000000001 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.140000000000001 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.520000000000003 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.150000000000006 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.450000000000003 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.129999999999995 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.140000000000001 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 74.129999999999995 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 75.319999999999993 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.040000000000006 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.436 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 18' ' ' HIS . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.040000000000006 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 62.329999999999998 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 59' ' ' TRP . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 73.200000000000003 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CE2' HD12 ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 74.450000000000003 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.030000000000001 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 75.420000000000002 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.513 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.219999999999999 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.109999999999999 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.039999999999999 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.409999999999997 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 72.010000000000005 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 110.422 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 71.310000000000002 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.230000000000004 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.349999999999994 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.049999999999997 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 75.219999999999999 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.556 HD12 ' CZ3' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 64.319999999999993 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.556 ' CZ3' HD12 ' A' ' 57' ' ' ILE . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.120000000000005 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.519999999999996 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.402 ' HE3' ' NH2' ' A' ' 91' ' ' ARG . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.992 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CD2' HD22 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 74.329999999999998 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 67' ' ' TYR . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 72.120000000000005 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 75.340000000000003 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 73.400000000000006 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.299999999999997 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.446 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 73.430000000000007 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 110.975 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 73.019999999999996 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 75.209999999999994 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.329999999999998 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.430000000000007 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.099999999999994 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' NH2' ' HE3' ' A' ' 65' ' ' MET . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 74.430000000000007 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.210000000000001 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.530000000000001 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.450000000000003 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.540000000000006 109.274 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 110.423 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 72.019999999999996 110.256 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.120000000000005 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.019999999999996 109.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.46 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 75.409999999999997 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.230000000000004 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.230000000000004 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 13' ' ' LYS . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.430000000000007 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 20' ' ' VAL . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 ' CD1' ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 75.230000000000004 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.310000000000002 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 62.210000000000001 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.140000000000001 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 73.150000000000006 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.140000000000001 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 74.129999999999995 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 75.319999999999993 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.040000000000006 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.395 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.540000000000006 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.540000000000006 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD13 ' ND1' ' A' ' 18' ' ' HIS . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.040000000000006 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 22' ' ' LYS . 43.6 t-80 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.150000000000006 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 62.329999999999998 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 38' ' ' ARG . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 73.200000000000003 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 74.450000000000003 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.030000000000001 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' CG ' HD13 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 75.420000000000002 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 75.430000000000007 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.528 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.109999999999999 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 16.1 mm-40 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.109999999999999 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.039999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.409999999999997 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 72.010000000000005 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 74.120000000000005 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.510000000000005 110.461 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 71.310000000000002 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' CB ' HG23 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.349999999999994 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.329999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 64.319999999999993 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.219999999999999 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.584 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.519999999999996 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.584 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.519999999999996 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.504 ' CE ' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 75.209999999999994 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD2' HD22 ' A' ' 68' ' ' LEU . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD22 ' CD2' ' A' ' 67' ' ' TYR . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.120000000000005 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.340000000000003 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 73.400000000000006 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.530000000000001 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 74.230000000000004 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.631 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.439999999999998 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.408 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.299999999999997 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.540000000000006 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.200000000000003 111.012 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 83' ' ' VAL . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.010000000000005 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.340000000000003 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 73.019999999999996 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 75.209999999999994 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.040000000000006 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CG ' ' HE2' ' A' ' 65' ' ' MET . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 110.339 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.504 ' NH1' ' CE ' ' A' ' 65' ' ' MET . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.210000000000001 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 109.268 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 ' CD ' ' A' ' 99' ' ' LYS . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.129999999999995 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 72.530000000000001 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 74.530000000000001 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.537 HD22 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.200000000000003 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.540000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 75.140000000000001 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.019999999999996 110.29 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.120000000000005 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.019999999999996 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 75.299999999999997 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 75.409999999999997 110.937 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.230000000000004 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 74.310000000000002 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 75.230000000000004 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 62.210000000000001 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.140000000000001 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.520000000000003 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 73.150000000000006 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.299999999999997 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.129999999999995 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.140000000000001 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 74.129999999999995 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 75.319999999999993 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.040000000000006 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 110.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.540000000000006 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' ND1' ' A' ' 18' ' ' HIS . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.040000000000006 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.7 t-80 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.150000000000006 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 62.329999999999998 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 73.200000000000003 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.450000000000003 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.030000000000001 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 75.420000000000002 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.430000000000007 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.542 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.109999999999999 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.039999999999999 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.409999999999997 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.439999999999998 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 72.010000000000005 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 74.120000000000005 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.439999999999998 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 71.310000000000002 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.329999999999998 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.049999999999997 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.52 HD13 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 64.319999999999993 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.542 ' CZ2' HG21 ' A' ' 40' ' ' THR . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 73.310000000000002 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 75.209999999999994 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.140000000000001 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 72.120000000000005 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 75.340000000000003 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 73.400000000000006 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.530000000000001 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.230000000000004 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.299999999999997 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.129999999999995 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.540000000000006 110.42 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.450000000000003 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.430000000000007 109.347 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 73.019999999999996 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 75.209999999999994 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.040000000000006 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.340000000000003 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.430000000000007 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.210000000000001 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 75.310000000000002 109.277 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.129999999999995 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 72.530000000000001 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 74.530000000000001 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.329999999999998 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.450000000000003 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 74.200000000000003 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 72.019999999999996 110.258 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.299999999999997 109.374 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 11' ' ' ILE . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.230000000000004 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.230000000000004 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.430000000000007 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' HG22 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.520000000000003 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.140000000000001 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 74.129999999999995 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 75.319999999999993 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.040000000000006 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.340000000000003 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.510000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.540000000000006 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.129999999999995 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.040000000000006 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.150000000000006 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 62.329999999999998 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 73.200000000000003 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 74.450000000000003 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 75.420000000000002 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 75.430000000000007 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.109999999999999 110.293 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.109999999999999 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.039999999999999 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.409999999999997 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 72.010000000000005 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 74.120000000000005 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 52' ' ' ASN . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.439999999999998 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.510000000000005 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 71.310000000000002 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.230000000000004 109.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.329999999999998 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 64.319999999999993 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.219999999999999 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.120000000000005 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.519999999999996 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 73.310000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.519999999999996 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.463 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.209999999999994 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.329999999999998 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 64' ' ' LEU . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 75.340000000000003 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.5 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 73.400000000000006 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.439999999999998 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.393 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.299999999999997 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.129999999999995 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.540000000000006 110.416 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.450000000000003 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 71' ' ' PRO . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.010000000000005 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 73.019999999999996 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.209999999999994 109.372 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.040000000000006 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.329999999999998 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.099999999999994 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.547 ' NH2' ' CD1' ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 74.329999999999998 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.129999999999995 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 72.530000000000001 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 74.530000000000001 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.329999999999998 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.450000000000003 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 74.200000000000003 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.409999999999997 110.398 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.140000000000001 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.019999999999996 110.354 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.120000000000005 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.019999999999996 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.219999999999999 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.340000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.230000000000004 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE2' HD22 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 75.230000000000004 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 62.210000000000001 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.140000000000001 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.520000000000003 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.299999999999997 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.140000000000001 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 74.129999999999995 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 75.319999999999993 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.040000000000006 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.340000000000003 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.374 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.540000000000006 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.040000000000006 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 73.200000000000003 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 75.420000000000002 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 75.430000000000007 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.566 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.109999999999999 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 28.4 mm-40 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.109999999999999 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.039999999999999 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.409999999999997 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 72.010000000000005 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 74.120000000000005 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.525 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.511 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.510000000000005 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 71.310000000000002 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' CB ' HG22 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.049999999999997 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 75.219999999999999 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 64.319999999999993 109.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.120000000000005 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.519999999999996 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.140000000000001 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 72.120000000000005 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 75.340000000000003 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 73.400000000000006 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.439999999999998 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 51' ' ' ALA . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.299999999999997 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.129999999999995 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.540000000000006 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.511 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.450000000000003 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.200000000000003 110.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 73.430000000000007 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.010000000000005 111.029 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 73.019999999999996 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.443 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 75.209999999999994 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.040000000000006 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 110.319 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.099999999999994 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 74.430000000000007 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.210000000000001 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.129999999999995 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.530000000000001 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.450000000000003 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 74.200000000000003 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.140000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 110.31 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.120000000000005 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.019999999999996 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.219999999999999 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.230000000000004 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.230000000000004 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.430000000000007 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.310000000000002 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 62.210000000000001 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.140000000000001 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.129999999999995 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 74.129999999999995 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 75.319999999999993 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.040000000000006 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.340000000000003 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.510000000000005 110.37 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.540000000000006 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.502 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.040000000000006 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 1.5 t-80 -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 109.613 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 62.329999999999998 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 73.200000000000003 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 74.450000000000003 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.030000000000001 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 75.420000000000002 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 75.430000000000007 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.528 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.109999999999999 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.219999999999999 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.556 ' N ' HE21 ' A' ' 42' ' ' GLN . 5.2 mm-40 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.039999999999999 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.409999999999997 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 72.010000000000005 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.510000000000005 110.392 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 71.310000000000002 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.26 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.344 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.049999999999997 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 75.219999999999999 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 64.319999999999993 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 74.219999999999999 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.340000000000003 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.519999999999996 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 75.209999999999994 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.328 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 75.340000000000003 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 73.400000000000006 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.416 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.510000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.299999999999997 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.540000000000006 110.376 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.450000000000003 109.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.200000000000003 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.010000000000005 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 75.209999999999994 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.040000000000006 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.430000000000007 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.099999999999994 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 74.329999999999998 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.210000000000001 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 75.310000000000002 109.282 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.129999999999995 109.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 72.530000000000001 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.530000000000001 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.329999999999998 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.450000000000003 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.200000000000003 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.540000000000006 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 75.140000000000001 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.019999999999996 110.339 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.120000000000005 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.019999999999996 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.299999999999997 109.29 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.340000000000003 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 75.409999999999997 111.006 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.230000000000004 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.430000000000007 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 20' ' ' VAL . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 74.310000000000002 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 75.230000000000004 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 62.210000000000001 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 19.7 mm100 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.140000000000001 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.520000000000003 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 73.150000000000006 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.140000000000001 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 74.129999999999995 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 75.319999999999993 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.040000000000006 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.540000000000006 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' THR . 6.4 t-20 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.040000000000006 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 102' ' ' THR . 4.0 t-80 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 62.329999999999998 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 73.200000000000003 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 74.450000000000003 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 75.420000000000002 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.430000000000007 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.521 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.109999999999999 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.219999999999999 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.109999999999999 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.409999999999997 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 72.010000000000005 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.120000000000005 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.446 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.510000000000005 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.329999999999998 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.049999999999997 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 HD11 ' CG2' ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 64.319999999999993 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CD ' ' A' ' 39' ' ' LYS . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 74.219999999999999 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.521 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.519999999999996 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 73.310000000000002 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 110.376 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 36' ' ' PHE . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 75.209999999999994 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.638 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 72.120000000000005 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 75.340000000000003 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 73.400000000000006 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.439999999999998 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.638 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.510000000000005 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.299999999999997 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.129999999999995 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.540000000000006 110.373 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.200000000000003 111.042 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.430000000000007 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.019 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 72.340000000000003 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 73.019999999999996 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 75.209999999999994 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.040000000000006 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 74.340000000000003 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.430000000000007 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.099999999999994 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.329999999999998 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.210000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.508 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 72.530000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 74.530000000000001 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 20' ' ' VAL . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.329999999999998 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.508 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.450000000000003 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.569 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 75.140000000000001 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 72.019999999999996 110.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.120000000000005 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.019999999999996 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 75.299999999999997 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.219999999999999 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.230000000000004 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.109999999999999 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 74.310000000000002 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 111.017 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 75.230000000000004 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 62.210000000000001 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.299999999999997 109.325 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.129999999999995 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.140000000000001 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 74.129999999999995 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 75.319999999999993 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.340000000000003 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.510000000000005 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.540000000000006 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.540000000000006 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.040000000000006 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.150000000000006 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 62.329999999999998 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 59' ' ' TRP . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 73.200000000000003 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE2' ' HE2' ' A' ' 99' ' ' LYS . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 74.450000000000003 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 75.420000000000002 110.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.43 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.109999999999999 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.219999999999999 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.109999999999999 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.039999999999999 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.409999999999997 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 72.010000000000005 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.439999999999998 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 71.310000000000002 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.349999999999994 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.329999999999998 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.049999999999997 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HG13 ' CG ' ' A' ' 55' ' ' LYS . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 64.319999999999993 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.219999999999999 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.525 ' CE3' HD21 ' A' ' 64' ' ' LEU . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.340000000000003 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.120000000000005 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.519999999999996 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.519999999999996 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 HD21 ' CE3' ' A' ' 59' ' ' TRP . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 74.420000000000002 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 75.209999999999994 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.329999999999998 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 72.120000000000005 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 75.340000000000003 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 73.400000000000006 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 74.230000000000004 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.510000000000005 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.299999999999997 111.015 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.129999999999995 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.540000000000006 110.38 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 111.004 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 73.430000000000007 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 72.340000000000003 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 73.019999999999996 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 75.209999999999994 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.040000000000006 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.329999999999998 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 74.340000000000003 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.430000000000007 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 74.430000000000007 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 72.530000000000001 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 72.019999999999996 110.313 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.120000000000005 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.340000000000003 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 75.409999999999997 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.230000000000004 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.230000000000004 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.430000000000007 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 62.210000000000001 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.299999999999997 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 74.129999999999995 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 75.319999999999993 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.340000000000003 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.540000000000006 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.540000000000006 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.129999999999995 109.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.040000000000006 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.6 t-80 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.150000000000006 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 62.329999999999998 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.200000000000003 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.030000000000001 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 75.420000000000002 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 75.430000000000007 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.109999999999999 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 21.3 mm-40 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.039999999999999 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.409999999999997 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.439999999999998 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 72.010000000000005 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.120000000000005 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.510000000000005 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 71.310000000000002 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.230000000000004 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 75.219999999999999 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 64.319999999999993 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' CD1' HG23 ' A' ' 40' ' ' THR . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.340000000000003 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.519999999999996 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.519999999999996 110.413 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.420000000000002 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.452 ' CG ' ' NH2' ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.140000000000001 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 73.400000000000006 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 74.230000000000004 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.439999999999998 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.299999999999997 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.129999999999995 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.540000000000006 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.200000000000003 111.011 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 73.430000000000007 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.010000000000005 110.942 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 73.019999999999996 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 75.209999999999994 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.040000000000006 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.430000000000007 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.472 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.099999999999994 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.263 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.312 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.129999999999995 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 72.530000000000001 109.259 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 74.530000000000001 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 102' ' ' THR . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.329999999999998 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.450000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.409999999999997 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.140000000000001 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 72.019999999999996 110.303 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.120000000000005 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.019999999999996 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.340000000000003 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 75.409999999999997 110.968 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.230000000000004 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.230000000000004 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LYS . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.109999999999999 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.987 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 75.230000000000004 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 62.210000000000001 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.140000000000001 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.150000000000006 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 ' CG1' ' CE2' ' A' ' 10' ' ' PHE . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 74.129999999999995 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 75.319999999999993 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.040000000000006 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.540000000000006 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.040000000000006 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 62.329999999999998 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 73.200000000000003 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 64' ' ' LEU . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.030000000000001 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.420000000000002 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 40' ' ' THR . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 75.430000000000007 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.564 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.109999999999999 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 29.0 mm-40 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.109999999999999 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.409999999999997 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 72.010000000000005 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.120000000000005 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.510000000000005 110.404 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 71.310000000000002 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.049999999999997 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 74' ' ' TYR . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD13 ' CG2' ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 64.319999999999993 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 74.219999999999999 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.340000000000003 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.519999999999996 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' NH2' ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 75.209999999999994 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 109.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 73.400000000000006 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 74.230000000000004 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.438 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.299999999999997 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.540000000000006 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.450000000000003 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.200000000000003 111.028 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.010000000000005 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 73.019999999999996 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 75.209999999999994 109.366 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.040000000000006 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.340000000000003 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.430000000000007 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.099999999999994 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.210000000000001 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ARG . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 75.310000000000002 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.129999999999995 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 72.530000000000001 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 74.530000000000001 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.599 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 74.200000000000003 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.540000000000006 109.285 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 72.019999999999996 110.339 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.120000000000005 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.019999999999996 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.219999999999999 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.230000000000004 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.230000000000004 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.641 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.430000000000007 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 75.230000000000004 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.310000000000002 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.520000000000003 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' HD23 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 73.150000000000006 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.641 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.450000000000003 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.603 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.140000000000001 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 74.129999999999995 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' NZ ' ' CE ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 75.319999999999993 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.040000000000006 109.644 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' CE ' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.510000000000005 110.401 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.56 HD23 ' CE1' ' A' ' 18' ' ' HIS . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.040000000000006 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 60.4 t-80 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.150000000000006 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 62.329999999999998 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 73.200000000000003 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 75.420000000000002 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 ' CG2' HD13 ' A' ' 57' ' ' ILE . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.109999999999999 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.039999999999999 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 72.010000000000005 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.439999999999998 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.451 ' CG2' ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.349999999999994 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 40' ' ' THR . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 64.319999999999993 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ2' HG22 ' A' ' 40' ' ' THR . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.519999999999996 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' GLY . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 75.209999999999994 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 75' ' ' ILE . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.120000000000005 109.353 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.209999999999994 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 73.400000000000006 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.530000000000001 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 67' ' ' TYR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.299999999999997 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.540000000000006 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' LYS . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.200000000000003 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 109.22 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 72.340000000000003 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 73.019999999999996 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 75.209999999999994 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.040000000000006 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.099999999999994 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 74.430000000000007 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.310000000000002 109.295 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.129999999999995 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 72.530000000000001 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.329999999999998 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 74.200000000000003 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.409999999999997 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 75.140000000000001 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 72.019999999999996 110.325 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.120000000000005 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.019999999999996 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 75.409999999999997 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.230000000000004 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.230000000000004 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 13' ' ' LYS . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.109999999999999 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 75.230000000000004 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.520000000000003 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.140000000000001 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 74.129999999999995 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 75.319999999999993 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.340000000000003 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.540000000000006 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.540000000000006 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 109.246 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.040000000000006 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.150000000000006 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 62.329999999999998 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 74.450000000000003 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.030000000000001 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.46 ' NH2' ' CB ' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 75.420000000000002 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 75.430000000000007 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.535 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.109999999999999 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.219999999999999 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' CB ' ' NH2' ' A' ' 38' ' ' ARG . 28.8 mm-40 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.109999999999999 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.039999999999999 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.409999999999997 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 72.010000000000005 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.439999999999998 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.321 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.329999999999998 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.049999999999997 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 64.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.219999999999999 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CZ2' HG21 ' A' ' 40' ' ' THR . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.120000000000005 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.519999999999996 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 74.420000000000002 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 75.209999999999994 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.209999999999994 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 73.400000000000006 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.530000000000001 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.510000000000005 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.299999999999997 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.540000000000006 110.47 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.450000000000003 109.336 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.010000000000005 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 73.019999999999996 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 75.209999999999994 109.272 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.329999999999998 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.430000000000007 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.099999999999994 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 2' ' ' ASP . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.210000000000001 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 75.310000000000002 109.277 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.530000000000001 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.329999999999998 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.450000000000003 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.540000000000006 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 110.404 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 72.019999999999996 110.253 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.120000000000005 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.019999999999996 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' LYS . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 75.409999999999997 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.230000000000004 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.310000000000002 109.28 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.430000000000007 111.074 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 75.230000000000004 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.310000000000002 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 62.210000000000001 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.520000000000003 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.299999999999997 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.450000000000003 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.602 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.140000000000001 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 74.129999999999995 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 75.319999999999993 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.040000000000006 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.540000000000006 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.540000000000006 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' THR . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 18' ' ' HIS . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.040000000000006 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 65.7 t-80 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.150000000000006 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 62.329999999999998 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 73.200000000000003 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.030000000000001 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 75.420000000000002 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 75.430000000000007 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.109999999999999 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.219999999999999 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 42' ' ' GLN . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.109999999999999 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.039999999999999 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.439999999999998 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 72.010000000000005 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.120000000000005 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.417 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.510000000000005 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 71.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.349999999999994 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.329999999999998 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.049999999999997 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 ' CG2' ' A' ' 40' ' ' THR . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 64.319999999999993 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.219999999999999 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.493 ' CZ2' HG22 ' A' ' 40' ' ' THR . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.016 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.519999999999996 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' GLU . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 75.209999999999994 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.340000000000003 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 73.400000000000006 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.299999999999997 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.540000000000006 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.200000000000003 110.957 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 73.430000000000007 109.333 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.010000000000005 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 72.340000000000003 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 73.019999999999996 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 75.209999999999994 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.040000000000006 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.430000000000007 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 74.430000000000007 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 109.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.530000000000001 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.450000000000003 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 74.200000000000003 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.540000000000006 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 75.140000000000001 109.326 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 72.019999999999996 110.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.120000000000005 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.019999999999996 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 75.299999999999997 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 75.409999999999997 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.230000000000004 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 11' ' ' ILE . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.693 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.109999999999999 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 75.230000000000004 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 62.210000000000001 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.140000000000001 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.520000000000003 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 73.150000000000006 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.645 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.140000000000001 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 74.129999999999995 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.040000000000006 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.340000000000003 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.510000000000005 110.331 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.540000000000006 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.289 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.040000000000006 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.5 t-80 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 62.329999999999998 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 73.200000000000003 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 74.450000000000003 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.030000000000001 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 75.420000000000002 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 75.430000000000007 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.561 HG23 ' CZ2' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.109999999999999 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.109999999999999 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.039999999999999 109.274 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.409999999999997 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.439999999999998 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 72.010000000000005 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 74.120000000000005 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.46 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.230000000000004 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.349999999999994 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.329999999999998 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.049999999999997 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 75.219999999999999 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 64.319999999999993 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 74.219999999999999 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CZ2' HG23 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.340000000000003 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.120000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.519999999999996 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.519999999999996 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD23 ' CE3' ' A' ' 59' ' ' TRP . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 75.209999999999994 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.140000000000001 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 74.329999999999998 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 72.120000000000005 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.209999999999994 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 73.400000000000006 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.530000000000001 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 74.230000000000004 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.439999999999998 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.510000000000005 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.299999999999997 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.540000000000006 110.454 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 111.003 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 73.430000000000007 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 72.340000000000003 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 73.019999999999996 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 75.209999999999994 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.040000000000006 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 90' ' ' GLU . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.329999999999998 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 74.340000000000003 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.430000000000007 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 87' ' ' LYS . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.099999999999994 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.415 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 74.329999999999998 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.210000000000001 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.324 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.129999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.530000000000001 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.530000000000001 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.329999999999998 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.450000000000003 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' CG2' ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 74.200000000000003 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.540000000000006 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.409999999999997 110.474 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 110.352 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.120000000000005 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.219999999999999 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.230000000000004 109.228 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' PHE . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.430000000000007 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.230000000000004 109.303 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 62.210000000000001 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 11.9 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.140000000000001 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.520000000000003 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.498 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 73.150000000000006 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.450000000000003 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.140000000000001 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 74.129999999999995 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 75.319999999999993 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.040000000000006 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 110.396 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.540000000000006 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.540000000000006 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.129999999999995 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.040000000000006 109.241 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 64.8 t-80 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.150000000000006 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 62.329999999999998 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 73.200000000000003 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 75.420000000000002 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 75.430000000000007 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.539 HG23 ' CZ2' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.109999999999999 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.717 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.717 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.039999999999999 109.275 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.409999999999997 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 72.010000000000005 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 110.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.349999999999994 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.049999999999997 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.537 HD13 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 64.319999999999993 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.340000000000003 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 73.310000000000002 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.519999999999996 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 75.209999999999994 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 73.400000000000006 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.530000000000001 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.510000000000005 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.299999999999997 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.540000000000006 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.200000000000003 111.056 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 73.430000000000007 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.010000000000005 110.997 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 72.340000000000003 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 73.019999999999996 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 75.209999999999994 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 85' ' ' ILE . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.210000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.356 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.129999999999995 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 72.530000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.329999999999998 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 74.200000000000003 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.540000000000006 109.287 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.409999999999997 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 72.019999999999996 110.356 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.120000000000005 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.019999999999996 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 75.299999999999997 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.340000000000003 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 110.945 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.230000000000004 109.256 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.230000000000004 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' LYS . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.430000000000007 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.109999999999999 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' PHE . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 110.969 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 75.230000000000004 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.310000000000002 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.140000000000001 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 73.150000000000006 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 10' ' ' PHE . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.129999999999995 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.140000000000001 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 74.129999999999995 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 75.319999999999993 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.040000000000006 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' LYS . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.510000000000005 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.540000000000006 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.040000000000006 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 62.329999999999998 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 59' ' ' TRP . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 73.200000000000003 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.030000000000001 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' NH2' HD13 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 75.420000000000002 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 75.430000000000007 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.51 HG23 ' CE2' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.109999999999999 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.409999999999997 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 72.010000000000005 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 74.120000000000005 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 71.310000000000002 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.230000000000004 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.049999999999997 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 75.219999999999999 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.568 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 64.319999999999993 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 57' ' ' ILE . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.120000000000005 110.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.519999999999996 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 73.310000000000002 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.519999999999996 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 75.209999999999994 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 72.120000000000005 109.28 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' CD ' ' NH2' ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.492 ' ND2' ' NZ ' ' A' ' 73' ' ' LYS . 18.2 m-20 -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 75.340000000000003 109.377 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.464 ' CG ' ' HE2' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 73.400000000000006 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' NZ ' ' ND2' ' A' ' 70' ' ' ASN . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 74.230000000000004 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.439999999999998 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.299999999999997 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.464 ' HE2' ' CG ' ' A' ' 71' ' ' PRO . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.430000000000007 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.010000000000005 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 72.340000000000003 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 73.019999999999996 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 75.209999999999994 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.040000000000006 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.430000000000007 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' ASP . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.099999999999994 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.448 ' NH2' ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 74.329999999999998 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' GLU . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.210000000000001 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 109.281 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.129999999999995 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.450000000000003 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 75.140000000000001 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 110.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.120000000000005 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.019999999999996 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 75.409999999999997 111.02 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.230000000000004 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.601 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.430000000000007 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.693 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.109999999999999 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 75.230000000000004 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.310000000000002 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.210000000000001 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.140000000000001 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.520000000000003 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 73.150000000000006 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.299999999999997 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.129999999999995 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.140000000000001 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 74.129999999999995 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 75.319999999999993 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.040000000000006 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.510000000000005 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.540000000000006 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.540000000000006 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.129999999999995 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 18' ' ' HIS . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.040000000000006 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.150000000000006 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 62.329999999999998 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 73.200000000000003 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 75.420000000000002 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 40' ' ' THR . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 75.430000000000007 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.533 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.109999999999999 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.039999999999999 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.409999999999997 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 72.010000000000005 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 71.310000000000002 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.329999999999998 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.049999999999997 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 75.219999999999999 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 64.319999999999993 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 74.219999999999999 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CZ2' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.572 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.120000000000005 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' TYR . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 74.420000000000002 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.209999999999994 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 72.120000000000005 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 75.340000000000003 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 73.400000000000006 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.530000000000001 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.299999999999997 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.129999999999995 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.540000000000006 110.437 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.450000000000003 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 111.021 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 73.430000000000007 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 72.340000000000003 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 73.019999999999996 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 75.209999999999994 109.363 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.040000000000006 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 74.340000000000003 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.099999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CZ ' ' CB ' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 74.430000000000007 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.333 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.530000000000001 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' ALA . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.530000000000001 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.450000000000003 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' CB ' HG13 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 74.200000000000003 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.409999999999997 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 75.140000000000001 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 72.019999999999996 110.292 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.120000000000005 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.019999999999996 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CG ' HD12 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.230000000000004 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.469 ' CG2' ' HE3' ' A' ' 13' ' ' LYS . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.109999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 74.310000000000002 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.430000000000007 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.230000000000004 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 62.210000000000001 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 73.150000000000006 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.299999999999997 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.140000000000001 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 74.129999999999995 110.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 75.319999999999993 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.395 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.540000000000006 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.540000000000006 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.42 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 7.7 t-20 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.129999999999995 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.040000000000006 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 62.329999999999998 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 73.200000000000003 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 74.450000000000003 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 75.420000000000002 110.285 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 75.430000000000007 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.548 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.109999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.219999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.109999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.039999999999999 109.354 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.409999999999997 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 72.010000000000005 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.120000000000005 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.439999999999998 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.373 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 71.310000000000002 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.329999999999998 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.049999999999997 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 75.219999999999999 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 40' ' ' THR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 64.319999999999993 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.548 ' CZ2' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.340000000000003 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.439 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.519999999999996 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.420000000000002 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 75.209999999999994 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.476 ' CE1' HD12 ' A' ' 75' ' ' ILE . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 73.400000000000006 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.530000000000001 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.299999999999997 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.129999999999995 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.540000000000006 110.468 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 75.209999999999994 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.040000000000006 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.329999999999998 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.430000000000007 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.210000000000001 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 75.310000000000002 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 74.530000000000001 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.599 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.329999999999998 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 74.200000000000003 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.540000000000006 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 110.382 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 72.019999999999996 110.293 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.120000000000005 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.019999999999996 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 75.299999999999997 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.662 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.109999999999999 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 111.034 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 62.210000000000001 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.520000000000003 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.662 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.129999999999995 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 74.129999999999995 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 75.319999999999993 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.340000000000003 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.510000000000005 110.344 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.540000000000006 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 18' ' ' HIS . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.28 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.645 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 23.0 t-80 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 62.329999999999998 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 73.200000000000003 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 74.450000000000003 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 75.420000000000002 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' CD ' ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 75.430000000000007 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.109999999999999 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 6.5 tp-100 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.109999999999999 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.039999999999999 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.409999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.439999999999998 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 72.010000000000005 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.120000000000005 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 71.310000000000002 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.230000000000004 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.349999999999994 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.329999999999998 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.049999999999997 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 75.219999999999999 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 64.319999999999993 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' CD ' ' A' ' 39' ' ' LYS . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 74.219999999999999 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.120000000000005 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.519999999999996 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 73.310000000000002 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.532 HD21 ' CE3' ' A' ' 59' ' ' TRP . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 74.420000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.209999999999994 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.140000000000001 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 72.120000000000005 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 75.340000000000003 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 73.400000000000006 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.510000000000005 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.299999999999997 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.540000000000006 110.436 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.200000000000003 111.048 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.010000000000005 110.952 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 73.019999999999996 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 75.209999999999994 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 85' ' ' ILE . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.040000000000006 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' CG ' HG22 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.099999999999994 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.210000000000001 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 75.310000000000002 109.254 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG21 ' CD ' ' A' ' 99' ' ' LYS . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 72.530000000000001 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.450000000000003 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.409999999999997 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 72.019999999999996 110.307 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.120000000000005 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.019999999999996 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 94' ' ' LEU . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 75.409999999999997 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.230000000000004 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.109999999999999 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 75.230000000000004 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.310000000000002 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 62.210000000000001 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 34.5 tp60 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.140000000000001 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.520000000000003 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.450000000000003 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.140000000000001 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 74.129999999999995 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 75.319999999999993 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 110.341 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 18' ' ' HIS . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.040000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.150000000000006 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 62.329999999999998 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 59' ' ' TRP . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 73.200000000000003 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 74.450000000000003 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.030000000000001 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 75.420000000000002 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.526 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.219999999999999 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.039999999999999 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.409999999999997 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 72.010000000000005 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.445 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.510000000000005 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 71.310000000000002 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.230000000000004 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.349999999999994 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.049999999999997 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 64.319999999999993 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.526 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.340000000000003 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.519999999999996 110.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.519999999999996 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' TYR . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 74.420000000000002 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 75.209999999999994 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 72.120000000000005 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 73.400000000000006 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.530000000000001 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 74.230000000000004 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.014 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 67' ' ' TYR . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.510000000000005 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.299999999999997 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.540000000000006 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.200000000000003 110.996 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.010000000000005 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 72.340000000000003 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 73.019999999999996 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 75.209999999999994 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.040000000000006 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.430000000000007 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.099999999999994 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 74.329999999999998 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 74.430000000000007 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.54 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.129999999999995 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 72.530000000000001 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.530000000000001 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.543 ' HE3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.450000000000003 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.200000000000003 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.409999999999997 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.019999999999996 110.26 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.120000000000005 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.019999999999996 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 111.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.230000000000004 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.310000000000002 109.32 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 75.230000000000004 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 62.210000000000001 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.140000000000001 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.520000000000003 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.150000000000006 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.450000000000003 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.129999999999995 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.140000000000001 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 74.129999999999995 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 75.319999999999993 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.040000000000006 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.436 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 18' ' ' HIS . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.040000000000006 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 62.329999999999998 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 59' ' ' TRP . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 73.200000000000003 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CE2' HD12 ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 74.450000000000003 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.030000000000001 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 75.420000000000002 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.513 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.219999999999999 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.109999999999999 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.039999999999999 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.409999999999997 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 72.010000000000005 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' HBD1 ' A' ' 500' ' ' HEC . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 110.422 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 71.310000000000002 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.230000000000004 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.349999999999994 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.049999999999997 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 75.219999999999999 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.556 HD12 ' CZ3' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 64.319999999999993 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.120000000000005 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.519999999999996 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.402 ' HE3' ' NH2' ' A' ' 91' ' ' ARG . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.992 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CD2' HD22 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 74.329999999999998 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 67' ' ' TYR . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 72.120000000000005 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 75.340000000000003 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 73.400000000000006 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.299999999999997 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.446 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.512 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 73.430000000000007 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' ' HAB' ' A' ' 500' ' ' HEC . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 110.975 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 73.019999999999996 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 75.209999999999994 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.329999999999998 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.430000000000007 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.099999999999994 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' NH2' ' HE3' ' A' ' 65' ' ' MET . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 74.430000000000007 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.210000000000001 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.530000000000001 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.450000000000003 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.540000000000006 109.274 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 110.423 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 72.019999999999996 110.256 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.566 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.120000000000005 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.019999999999996 109.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.46 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 75.409999999999997 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.230000000000004 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.230000000000004 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 13' ' ' LYS . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.430000000000007 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 20' ' ' VAL . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 ' CD1' ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 75.230000000000004 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.310000000000002 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 62.210000000000001 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.140000000000001 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 73.150000000000006 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.140000000000001 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 74.129999999999995 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 75.319999999999993 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.040000000000006 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.395 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.540000000000006 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.540000000000006 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD13 ' ND1' ' A' ' 18' ' ' HIS . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.040000000000006 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 22' ' ' LYS . 43.6 t-80 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.150000000000006 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 62.329999999999998 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 38' ' ' ARG . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 73.200000000000003 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 74.450000000000003 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.030000000000001 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' CG ' HD13 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 75.420000000000002 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 75.430000000000007 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.528 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.109999999999999 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 16.1 mm-40 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.109999999999999 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.039999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.409999999999997 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 72.010000000000005 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 74.120000000000005 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.445 ' CG2' HBD1 ' A' ' 500' ' ' HEC . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.510000000000005 110.461 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 71.310000000000002 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' CB ' HG23 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.349999999999994 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.329999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 64.319999999999993 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.219999999999999 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.584 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.519999999999996 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.584 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.519999999999996 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.504 ' CE ' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 75.209999999999994 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' OH ' ' C1A' ' A' ' 500' ' ' HEC . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD2' HMB3 ' A' ' 500' ' ' HEC . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.120000000000005 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.340000000000003 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 73.400000000000006 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.530000000000001 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 74.230000000000004 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.631 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.439999999999998 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.408 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.299999999999997 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.475 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.540000000000006 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.200000000000003 111.012 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.549 ' CE1' ' HAB' ' A' ' 500' ' ' HEC . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.010000000000005 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.340000000000003 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 73.019999999999996 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 75.209999999999994 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.040000000000006 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CG ' ' HE2' ' A' ' 65' ' ' MET . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 110.339 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.504 ' NH1' ' CE ' ' A' ' 65' ' ' MET . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.210000000000001 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 109.268 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 ' CD ' ' A' ' 99' ' ' LYS . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.129999999999995 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 72.530000000000001 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 74.530000000000001 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.537 HD22 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.200000000000003 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.540000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 75.140000000000001 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.019999999999996 110.29 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.602 ' CHA' ' CGA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.120000000000005 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.019999999999996 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 75.299999999999997 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 75.409999999999997 110.937 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.230000000000004 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 74.310000000000002 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 75.230000000000004 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 62.210000000000001 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.140000000000001 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.520000000000003 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 73.150000000000006 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.299999999999997 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.129999999999995 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.140000000000001 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 74.129999999999995 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 75.319999999999993 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.040000000000006 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 110.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.540000000000006 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' ND1' ' A' ' 18' ' ' HIS . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.040000000000006 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.7 t-80 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.150000000000006 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 62.329999999999998 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 73.200000000000003 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.450000000000003 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.030000000000001 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 75.420000000000002 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.430000000000007 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.542 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.109999999999999 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.039999999999999 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.409999999999997 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.439999999999998 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 72.010000000000005 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 74.120000000000005 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.439999999999998 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 71.310000000000002 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.329999999999998 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.049999999999997 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.52 HD13 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 64.319999999999993 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 73.310000000000002 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 75.209999999999994 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.140000000000001 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 72.120000000000005 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 75.340000000000003 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 73.400000000000006 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.530000000000001 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.230000000000004 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.299999999999997 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.129999999999995 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.447 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.540000000000006 110.42 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.450000000000003 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.417 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.430000000000007 109.347 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 73.019999999999996 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 75.209999999999994 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.040000000000006 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.340000000000003 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.430000000000007 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.210000000000001 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 75.310000000000002 109.277 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.129999999999995 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 72.530000000000001 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 74.530000000000001 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.329999999999998 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.450000000000003 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 74.200000000000003 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 72.019999999999996 110.258 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.634 ' CHA' ' CGA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.299999999999997 109.374 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 11' ' ' ILE . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.230000000000004 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.230000000000004 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.430000000000007 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' HG22 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.520000000000003 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.140000000000001 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 74.129999999999995 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 75.319999999999993 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.040000000000006 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.340000000000003 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.510000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.540000000000006 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.129999999999995 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.040000000000006 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.150000000000006 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 62.329999999999998 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' O1A' ' A' ' 500' ' ' HEC . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 73.200000000000003 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 74.450000000000003 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 75.420000000000002 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 75.430000000000007 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.109999999999999 110.293 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.109999999999999 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.039999999999999 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.409999999999997 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 72.010000000000005 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 74.120000000000005 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 52' ' ' ASN . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.439999999999998 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.510000000000005 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 71.310000000000002 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.230000000000004 109.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.329999999999998 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 64.319999999999993 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.219999999999999 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.120000000000005 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.519999999999996 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 73.310000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.519999999999996 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.463 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.209999999999994 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.329999999999998 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 64' ' ' LEU . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 75.340000000000003 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 73.400000000000006 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.439999999999998 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.393 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.299999999999997 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.129999999999995 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.445 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.540000000000006 110.416 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.450000000000003 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.515 ' CE2' HBB2 ' A' ' 500' ' ' HEC . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.010000000000005 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 73.019999999999996 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.209999999999994 109.372 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.040000000000006 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.329999999999998 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.099999999999994 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.547 ' NH2' ' CD1' ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 74.329999999999998 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.129999999999995 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 72.530000000000001 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 74.530000000000001 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.329999999999998 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.450000000000003 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 74.200000000000003 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.409999999999997 110.398 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.140000000000001 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.019999999999996 110.354 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.545 ' O1D' ' C4D' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.120000000000005 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.019999999999996 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.219999999999999 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.340000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.230000000000004 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE2' HD22 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 75.230000000000004 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 62.210000000000001 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.140000000000001 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.520000000000003 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.299999999999997 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.140000000000001 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 74.129999999999995 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 75.319999999999993 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.040000000000006 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.340000000000003 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.374 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.540000000000006 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.040000000000006 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 73.200000000000003 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 75.420000000000002 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 75.430000000000007 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.566 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.109999999999999 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 28.4 mm-40 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.109999999999999 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.039999999999999 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.409999999999997 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 72.010000000000005 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 74.120000000000005 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.525 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.511 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.510000000000005 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 71.310000000000002 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' CB ' HG22 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.049999999999997 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 75.219999999999999 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 64.319999999999993 109.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.120000000000005 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.519999999999996 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.140000000000001 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 72.120000000000005 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 75.340000000000003 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 73.400000000000006 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.439999999999998 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 51' ' ' ALA . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.299999999999997 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.129999999999995 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.482 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.540000000000006 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.511 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.450000000000003 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.504 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.200000000000003 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 73.430000000000007 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CE2' HBB2 ' A' ' 500' ' ' HEC . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.010000000000005 111.029 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 73.019999999999996 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.443 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 75.209999999999994 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.040000000000006 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 110.319 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.099999999999994 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 74.430000000000007 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.210000000000001 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.129999999999995 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.530000000000001 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.450000000000003 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 74.200000000000003 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.140000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 110.31 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.613 ' CHA' ' CGA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.120000000000005 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.019999999999996 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.219999999999999 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.230000000000004 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.230000000000004 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.430000000000007 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.310000000000002 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 62.210000000000001 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.140000000000001 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.129999999999995 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 74.129999999999995 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 75.319999999999993 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.040000000000006 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.340000000000003 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.510000000000005 110.37 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.540000000000006 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.502 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.040000000000006 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 1.5 t-80 -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 109.613 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 62.329999999999998 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 73.200000000000003 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 74.450000000000003 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.030000000000001 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 75.420000000000002 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 75.430000000000007 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.528 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.109999999999999 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.219999999999999 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.556 ' N ' HE21 ' A' ' 42' ' ' GLN . 5.2 mm-40 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.039999999999999 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.409999999999997 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 72.010000000000005 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.510000000000005 110.392 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 71.310000000000002 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.26 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.344 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.049999999999997 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 75.219999999999999 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 64.319999999999993 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 74.219999999999999 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.340000000000003 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.519999999999996 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 75.209999999999994 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.328 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 75.340000000000003 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 73.400000000000006 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.510000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.299999999999997 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.540000000000006 110.376 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.450000000000003 109.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.512 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.200000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.010000000000005 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 75.209999999999994 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.040000000000006 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.430000000000007 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.099999999999994 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 74.329999999999998 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.210000000000001 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 75.310000000000002 109.282 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.129999999999995 109.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 72.530000000000001 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.530000000000001 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.329999999999998 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.450000000000003 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.200000000000003 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.540000000000006 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 75.140000000000001 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.019999999999996 110.339 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.592 ' CBB' ' CZ ' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.120000000000005 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.019999999999996 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.299999999999997 109.29 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.340000000000003 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 75.409999999999997 111.006 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.230000000000004 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.430000000000007 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 20' ' ' VAL . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 74.310000000000002 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 75.230000000000004 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 62.210000000000001 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 19.7 mm100 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.140000000000001 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.520000000000003 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 73.150000000000006 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.140000000000001 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 74.129999999999995 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 75.319999999999993 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.040000000000006 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.540000000000006 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' THR . 6.4 t-20 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.040000000000006 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 102' ' ' THR . 4.0 t-80 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 62.329999999999998 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 73.200000000000003 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 74.450000000000003 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 75.420000000000002 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.430000000000007 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.521 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.109999999999999 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.219999999999999 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.109999999999999 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.409999999999997 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 72.010000000000005 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.120000000000005 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.510000000000005 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.329999999999998 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.049999999999997 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 HD11 ' CG2' ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 64.319999999999993 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CD ' ' A' ' 39' ' ' LYS . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 74.219999999999999 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.521 ' NE1' ' CG2' ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.519999999999996 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 73.310000000000002 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 110.376 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 36' ' ' PHE . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 75.209999999999994 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.638 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 72.120000000000005 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 75.340000000000003 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 73.400000000000006 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.439999999999998 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.638 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.510000000000005 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.299999999999997 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.129999999999995 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.540000000000006 110.373 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.49 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.200000000000003 111.042 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.430000000000007 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 72.340000000000003 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 73.019999999999996 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 75.209999999999994 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.040000000000006 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 74.340000000000003 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.430000000000007 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.099999999999994 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.329999999999998 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.210000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' CD2' HBB1 ' A' ' 500' ' ' HEC . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.508 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 72.530000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 74.530000000000001 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 20' ' ' VAL . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.329999999999998 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.508 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.450000000000003 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.569 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 75.140000000000001 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 72.019999999999996 110.256 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.606 ' CBB' ' CZ ' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.120000000000005 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.019999999999996 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 75.299999999999997 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.219999999999999 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.230000000000004 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.109999999999999 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 74.310000000000002 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 111.017 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 75.230000000000004 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 62.210000000000001 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.299999999999997 109.325 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.129999999999995 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.140000000000001 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 74.129999999999995 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 75.319999999999993 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.340000000000003 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.510000000000005 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.540000000000006 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.540000000000006 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.040000000000006 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.150000000000006 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 62.329999999999998 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 59' ' ' TRP . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 73.200000000000003 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE2' ' HE2' ' A' ' 99' ' ' LYS . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 74.450000000000003 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 75.420000000000002 110.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.43 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.109999999999999 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.219999999999999 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.109999999999999 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.039999999999999 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.409999999999997 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 72.010000000000005 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.439999999999998 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 71.310000000000002 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.349999999999994 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.329999999999998 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.049999999999997 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HG13 ' CG ' ' A' ' 55' ' ' LYS . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 64.319999999999993 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.219999999999999 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.525 ' CE3' HD21 ' A' ' 64' ' ' LEU . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.340000000000003 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.120000000000005 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.519999999999996 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.519999999999996 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 HD21 ' CE3' ' A' ' 59' ' ' TRP . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 74.420000000000002 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 75.209999999999994 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.329999999999998 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 72.120000000000005 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 75.340000000000003 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 73.400000000000006 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 74.230000000000004 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.510000000000005 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.299999999999997 111.015 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.129999999999995 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.417 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.540000000000006 110.38 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' CD ' HMD3 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.446 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 73.430000000000007 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 72.340000000000003 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 73.019999999999996 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 75.209999999999994 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.040000000000006 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.329999999999998 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 74.340000000000003 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.430000000000007 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 74.430000000000007 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 72.530000000000001 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 72.019999999999996 110.313 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.538 ' O2A' ' C2A' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.120000000000005 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.340000000000003 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 75.409999999999997 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.230000000000004 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.230000000000004 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.430000000000007 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 62.210000000000001 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.299999999999997 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 74.129999999999995 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 75.319999999999993 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.340000000000003 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.540000000000006 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.540000000000006 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.129999999999995 109.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.040000000000006 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.6 t-80 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.150000000000006 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 62.329999999999998 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.200000000000003 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.030000000000001 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 75.420000000000002 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 75.430000000000007 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.109999999999999 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 21.3 mm-40 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.039999999999999 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.409999999999997 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.439999999999998 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 72.010000000000005 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.120000000000005 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.510000000000005 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 71.310000000000002 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.230000000000004 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 75.219999999999999 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 64.319999999999993 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.509 ' CE2' HAA2 ' A' ' 500' ' ' HEC . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.340000000000003 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.519999999999996 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.519999999999996 110.413 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.420000000000002 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.452 ' CG ' ' NH2' ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.140000000000001 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 73.400000000000006 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 74.230000000000004 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.439999999999998 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.299999999999997 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.129999999999995 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.540000000000006 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.468 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.200000000000003 111.011 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 73.430000000000007 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.010000000000005 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 73.019999999999996 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 75.209999999999994 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.040000000000006 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.430000000000007 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.099999999999994 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.263 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.312 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.129999999999995 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 72.530000000000001 109.259 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 74.530000000000001 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 102' ' ' THR . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.329999999999998 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.450000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.409999999999997 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.140000000000001 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 72.019999999999996 110.303 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.592 ' CBB' ' CZ ' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.120000000000005 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.019999999999996 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.340000000000003 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 75.409999999999997 110.968 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.230000000000004 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.230000000000004 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LYS . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.109999999999999 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.987 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 75.230000000000004 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 62.210000000000001 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.140000000000001 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.150000000000006 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 ' CG1' ' CE2' ' A' ' 10' ' ' PHE . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 74.129999999999995 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 75.319999999999993 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.040000000000006 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.540000000000006 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.040000000000006 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 62.329999999999998 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 73.200000000000003 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 64' ' ' LEU . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.030000000000001 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.420000000000002 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 40' ' ' THR . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 75.430000000000007 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.564 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.109999999999999 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 29.0 mm-40 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.109999999999999 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.409999999999997 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 72.010000000000005 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.120000000000005 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.488 ' CG2' ' O1D' ' A' ' 500' ' ' HEC . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.510000000000005 110.404 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 71.310000000000002 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.049999999999997 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 74' ' ' TYR . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD13 ' CG2' ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 64.319999999999993 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 74.219999999999999 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.340000000000003 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.519999999999996 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' NH2' ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 75.209999999999994 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 109.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 73.400000000000006 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 74.230000000000004 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.438 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.299999999999997 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.540000000000006 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.450000000000003 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.492 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.200000000000003 111.028 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.010000000000005 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 73.019999999999996 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 75.209999999999994 109.366 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.040000000000006 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.340000000000003 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.430000000000007 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.099999999999994 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.210000000000001 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD2' HBB1 ' A' ' 500' ' ' HEC . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 75.310000000000002 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.129999999999995 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 72.530000000000001 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 74.530000000000001 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.599 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 74.200000000000003 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.540000000000006 109.285 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 72.019999999999996 110.339 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.567 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.120000000000005 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.019999999999996 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.219999999999999 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.230000000000004 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.230000000000004 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CD1' ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.641 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.430000000000007 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 75.230000000000004 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.310000000000002 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.520000000000003 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' HD23 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 73.150000000000006 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.641 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.450000000000003 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.603 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.140000000000001 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 74.129999999999995 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' NZ ' ' CE ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 75.319999999999993 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.040000000000006 109.644 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' CE ' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.510000000000005 110.401 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 HD23 ' CE1' ' A' ' 18' ' ' HIS . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.040000000000006 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 60.4 t-80 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.150000000000006 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 62.329999999999998 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 73.200000000000003 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 75.420000000000002 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 ' CG2' HD13 ' A' ' 57' ' ' ILE . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.109999999999999 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.039999999999999 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 72.010000000000005 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.439999999999998 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.451 ' CG2' ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.349999999999994 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 40' ' ' THR . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 64.319999999999993 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.519999999999996 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' HMA3 ' A' ' 500' ' ' HEC . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 75.209999999999994 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 75' ' ' ILE . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.120000000000005 109.353 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.209999999999994 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 73.400000000000006 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.530000000000001 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 67' ' ' TYR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.299999999999997 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' CBD' ' A' ' 500' ' ' HEC . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.540000000000006 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.42 ' HG3' ' NC ' ' A' ' 500' ' ' HEC . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.200000000000003 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 109.22 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 72.340000000000003 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 73.019999999999996 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 75.209999999999994 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.040000000000006 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.099999999999994 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 74.430000000000007 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CD1' ' CBB' ' A' ' 500' ' ' HEC . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.310000000000002 109.295 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.129999999999995 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 72.530000000000001 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.329999999999998 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 74.200000000000003 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.409999999999997 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 75.140000000000001 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 72.019999999999996 110.325 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.544 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.120000000000005 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.019999999999996 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 75.409999999999997 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.230000000000004 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.230000000000004 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 13' ' ' LYS . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.109999999999999 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 75.230000000000004 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.520000000000003 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.140000000000001 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 74.129999999999995 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 75.319999999999993 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.340000000000003 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.540000000000006 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.540000000000006 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 109.246 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.040000000000006 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.150000000000006 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 62.329999999999998 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 74.450000000000003 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.030000000000001 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' NH2' ' CB ' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 75.420000000000002 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 75.430000000000007 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.535 HG21 ' CZ2' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.109999999999999 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.219999999999999 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' CB ' ' NH2' ' A' ' 38' ' ' ARG . 28.8 mm-40 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.109999999999999 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.039999999999999 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.409999999999997 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 72.010000000000005 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.439999999999998 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 HG23 ' CGD' ' A' ' 500' ' ' HEC . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.329999999999998 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.049999999999997 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 64.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.219999999999999 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.120000000000005 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.519999999999996 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 74.420000000000002 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 75.209999999999994 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.209999999999994 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 73.400000000000006 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.530000000000001 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.510000000000005 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.299999999999997 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' CB ' ' O2D' ' A' ' 500' ' ' HEC . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.540000000000006 110.47 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.450000000000003 109.336 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.010000000000005 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 73.019999999999996 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 75.209999999999994 109.272 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.329999999999998 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.430000000000007 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.099999999999994 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 2' ' ' ASP . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.210000000000001 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 75.310000000000002 109.277 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.530000000000001 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.329999999999998 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.450000000000003 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.540000000000006 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 110.404 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 72.019999999999996 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.539 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.120000000000005 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.019999999999996 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' LYS . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 75.299999999999997 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 75.409999999999997 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.230000000000004 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.310000000000002 109.28 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.430000000000007 111.074 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 75.230000000000004 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.310000000000002 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 62.210000000000001 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' CMC' ' A' ' 500' ' ' HEC . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 110.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.520000000000003 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.299999999999997 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.450000000000003 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.602 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.140000000000001 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 74.129999999999995 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 75.319999999999993 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.040000000000006 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.540000000000006 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.540000000000006 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' THR . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 18' ' ' HIS . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.040000000000006 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 65.7 t-80 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.150000000000006 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 62.329999999999998 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' HMA2 ' A' ' 500' ' ' HEC . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 73.200000000000003 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.030000000000001 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 75.420000000000002 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 75.430000000000007 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.109999999999999 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.219999999999999 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 42' ' ' GLN . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.109999999999999 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.039999999999999 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.439999999999998 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 72.010000000000005 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.120000000000005 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.489 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.510000000000005 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 71.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.349999999999994 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.329999999999998 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.049999999999997 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 ' CG2' ' A' ' 40' ' ' THR . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 64.319999999999993 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.219999999999999 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.515 ' CE2' HAA2 ' A' ' 500' ' ' HEC . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.016 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.519999999999996 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.455 HD21 ' CMA' ' A' ' 500' ' ' HEC . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 75.209999999999994 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.442 ' CD1' HBB3 ' A' ' 500' ' ' HEC . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.340000000000003 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 73.400000000000006 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.299999999999997 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.540000000000006 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.501 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.200000000000003 110.957 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 73.430000000000007 109.333 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.010000000000005 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 72.340000000000003 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 73.019999999999996 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 75.209999999999994 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.040000000000006 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.430000000000007 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 74.430000000000007 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 109.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.530000000000001 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.450000000000003 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 74.200000000000003 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.540000000000006 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 75.140000000000001 109.326 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 72.019999999999996 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.515 HAA2 ' CE2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.120000000000005 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.019999999999996 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 75.299999999999997 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 75.409999999999997 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.230000000000004 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 11' ' ' ILE . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.693 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.109999999999999 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 75.230000000000004 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 62.210000000000001 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.140000000000001 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.520000000000003 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 73.150000000000006 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.645 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.140000000000001 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 74.129999999999995 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.040000000000006 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.340000000000003 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.510000000000005 110.331 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.540000000000006 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.289 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.040000000000006 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.5 t-80 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 62.329999999999998 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 73.200000000000003 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 74.450000000000003 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.030000000000001 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 75.420000000000002 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 75.430000000000007 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.561 HG23 ' CZ2' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.109999999999999 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.109999999999999 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.039999999999999 109.274 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.409999999999997 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.439999999999998 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 72.010000000000005 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 74.120000000000005 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.478 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.230000000000004 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.349999999999994 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.329999999999998 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.049999999999997 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 75.219999999999999 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 64.319999999999993 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 74.219999999999999 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CZ2' HG23 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.340000000000003 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.120000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.519999999999996 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.519999999999996 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD23 ' CE3' ' A' ' 59' ' ' TRP . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 75.209999999999994 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.140000000000001 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 74.329999999999998 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 72.120000000000005 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.209999999999994 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 73.400000000000006 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.530000000000001 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 74.230000000000004 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.439999999999998 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.510000000000005 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.299999999999997 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.484 ' OG1' ' CBD' ' A' ' 500' ' ' HEC . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.540000000000006 110.454 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.484 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 73.430000000000007 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 72.340000000000003 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 73.019999999999996 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 75.209999999999994 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.040000000000006 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 90' ' ' GLU . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.329999999999998 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 74.340000000000003 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.430000000000007 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 87' ' ' LYS . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.099999999999994 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.415 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 74.329999999999998 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.210000000000001 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' CD1' ' CBB' ' A' ' 500' ' ' HEC . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.129999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.530000000000001 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.530000000000001 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.329999999999998 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.450000000000003 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' CG2' ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 74.200000000000003 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.540000000000006 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.409999999999997 110.474 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 110.352 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.527 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.120000000000005 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.219999999999999 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.230000000000004 109.228 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' PHE . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.430000000000007 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.230000000000004 109.303 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 62.210000000000001 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 11.9 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.140000000000001 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.520000000000003 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' O ' ' CG2' ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 73.150000000000006 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.450000000000003 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.140000000000001 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 74.129999999999995 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 75.319999999999993 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.040000000000006 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 110.396 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.540000000000006 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.540000000000006 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.129999999999995 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.040000000000006 109.241 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 64.8 t-80 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.150000000000006 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 62.329999999999998 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 73.200000000000003 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 75.420000000000002 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 75.430000000000007 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.539 HG23 ' CZ2' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.109999999999999 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.717 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.717 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.039999999999999 109.275 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.409999999999997 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 72.010000000000005 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.471 ' CG2' HBD1 ' A' ' 500' ' ' HEC . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 110.426 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.349999999999994 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.049999999999997 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.537 HD13 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 64.319999999999993 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.340000000000003 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 73.310000000000002 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.519999999999996 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 75.209999999999994 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' HMB3 ' A' ' 500' ' ' HEC . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 73.400000000000006 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.530000000000001 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.510000000000005 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.299999999999997 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.540000000000006 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.419 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.200000000000003 111.056 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 73.430000000000007 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HAB' ' A' ' 500' ' ' HEC . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.010000000000005 110.997 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 72.340000000000003 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 73.019999999999996 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 75.209999999999994 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 85' ' ' ILE . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.210000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.356 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.129999999999995 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 72.530000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.329999999999998 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 74.200000000000003 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.540000000000006 109.287 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.409999999999997 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 72.019999999999996 110.356 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.535 ' HAB' ' CE2' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.120000000000005 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.019999999999996 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 75.299999999999997 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.340000000000003 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 110.945 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.230000000000004 109.256 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.230000000000004 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' LYS . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.430000000000007 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.109999999999999 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' PHE . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 110.969 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 75.230000000000004 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.310000000000002 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.140000000000001 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 73.150000000000006 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 10' ' ' PHE . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.129999999999995 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.140000000000001 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 74.129999999999995 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 75.319999999999993 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.040000000000006 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' LYS . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.510000000000005 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.540000000000006 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.040000000000006 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 62.329999999999998 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 59' ' ' TRP . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 73.200000000000003 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.030000000000001 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' NH2' HD13 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 75.420000000000002 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 75.430000000000007 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.51 HG23 ' CE2' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.109999999999999 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.409999999999997 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 72.010000000000005 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 74.120000000000005 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 71.310000000000002 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.230000000000004 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.049999999999997 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 75.219999999999999 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.568 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 64.319999999999993 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 57' ' ' ILE . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.120000000000005 110.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.519999999999996 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 73.310000000000002 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.519999999999996 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 75.209999999999994 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HMB3 ' A' ' 500' ' ' HEC . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 72.120000000000005 109.28 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' CD ' ' NH2' ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.492 ' ND2' ' NZ ' ' A' ' 73' ' ' LYS . 18.2 m-20 -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 75.340000000000003 109.377 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.464 ' CG ' ' HE2' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 73.400000000000006 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' NZ ' ' ND2' ' A' ' 70' ' ' ASN . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 74.230000000000004 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.439999999999998 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.299999999999997 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.509 ' HE3' ' C4B' ' A' ' 500' ' ' HEC . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.430000000000007 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.010000000000005 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 72.340000000000003 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 73.019999999999996 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 75.209999999999994 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.040000000000006 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.430000000000007 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' ASP . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.099999999999994 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' NH2' ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 74.329999999999998 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' GLU . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.210000000000001 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.435 ' CD1' HBB1 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 109.281 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.129999999999995 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.450000000000003 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 75.140000000000001 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 110.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.568 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.120000000000005 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.019999999999996 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 75.409999999999997 111.02 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.230000000000004 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.601 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.430000000000007 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.693 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.109999999999999 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 75.230000000000004 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.310000000000002 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.210000000000001 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.140000000000001 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.520000000000003 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 73.150000000000006 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.299999999999997 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.129999999999995 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.140000000000001 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 74.129999999999995 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 75.319999999999993 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.040000000000006 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.510000000000005 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.540000000000006 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.540000000000006 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.129999999999995 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 18' ' ' HIS . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.040000000000006 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.150000000000006 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 62.329999999999998 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 73.200000000000003 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 75.420000000000002 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 40' ' ' THR . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 75.430000000000007 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.533 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.109999999999999 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.039999999999999 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.409999999999997 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 72.010000000000005 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 71.310000000000002 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.329999999999998 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.049999999999997 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 75.219999999999999 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 64.319999999999993 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 74.219999999999999 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CZ2' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.572 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.120000000000005 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' TYR . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 74.420000000000002 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.209999999999994 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 72.120000000000005 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 75.340000000000003 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 73.400000000000006 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.530000000000001 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.299999999999997 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.129999999999995 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.540000000000006 110.437 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.450000000000003 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.503 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 111.021 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 73.430000000000007 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 72.340000000000003 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 73.019999999999996 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 75.209999999999994 109.363 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.040000000000006 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 74.340000000000003 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.099999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CZ ' ' CB ' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 74.430000000000007 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.333 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.530000000000001 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' ALA . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.530000000000001 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.450000000000003 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' CB ' HG13 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 74.200000000000003 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.409999999999997 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 75.140000000000001 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 72.019999999999996 110.292 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.526 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.120000000000005 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.019999999999996 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CG ' HD12 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.230000000000004 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 ' CG2' ' HE3' ' A' ' 13' ' ' LYS . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.109999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 74.310000000000002 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.430000000000007 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.230000000000004 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 62.210000000000001 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 73.150000000000006 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.299999999999997 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.140000000000001 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 74.129999999999995 110.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 75.319999999999993 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.395 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.540000000000006 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.540000000000006 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.42 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 7.7 t-20 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.129999999999995 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.040000000000006 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 62.329999999999998 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 73.200000000000003 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 74.450000000000003 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 75.420000000000002 110.285 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 75.430000000000007 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.548 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.109999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.219999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.109999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.039999999999999 109.354 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.409999999999997 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 72.010000000000005 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.120000000000005 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.439999999999998 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.481 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.373 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 71.310000000000002 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.329999999999998 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.049999999999997 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 75.219999999999999 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 40' ' ' THR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 64.319999999999993 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.548 ' CZ2' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.340000000000003 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.519999999999996 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.420000000000002 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 75.209999999999994 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.476 ' CE1' HD12 ' A' ' 75' ' ' ILE . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 73.400000000000006 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.530000000000001 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.299999999999997 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.129999999999995 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.47 ' OG1' ' CBD' ' A' ' 500' ' ' HEC . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.540000000000006 110.468 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.011 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 75.209999999999994 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.040000000000006 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.329999999999998 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.430000000000007 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.210000000000001 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 75.310000000000002 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 74.530000000000001 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.599 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.329999999999998 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 74.200000000000003 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.540000000000006 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 110.382 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 72.019999999999996 110.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.519 HAA2 ' CE2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.120000000000005 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.019999999999996 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 75.299999999999997 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.662 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.109999999999999 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 111.034 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 62.210000000000001 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.520000000000003 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.662 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.129999999999995 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 74.129999999999995 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 75.319999999999993 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.340000000000003 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.510000000000005 110.344 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.540000000000006 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 18' ' ' HIS . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.28 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.645 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 23.0 t-80 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 62.329999999999998 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 73.200000000000003 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 74.450000000000003 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 75.420000000000002 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' CD ' ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 75.430000000000007 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.109999999999999 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 6.5 tp-100 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.109999999999999 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.039999999999999 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.409999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.439999999999998 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 72.010000000000005 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.120000000000005 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 71.310000000000002 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.230000000000004 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.349999999999994 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.329999999999998 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.049999999999997 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 75.219999999999999 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 64.319999999999993 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' CD ' ' A' ' 39' ' ' LYS . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 74.219999999999999 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.120000000000005 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.519999999999996 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 73.310000000000002 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.532 HD21 ' CE3' ' A' ' 59' ' ' TRP . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 74.420000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.209999999999994 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.140000000000001 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 72.120000000000005 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 75.340000000000003 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 73.400000000000006 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.510000000000005 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.299999999999997 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.540000000000006 110.436 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.509 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.200000000000003 111.048 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.549 ' CZ ' HBB1 ' A' ' 500' ' ' HEC . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.010000000000005 110.952 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 73.019999999999996 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 75.209999999999994 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 85' ' ' ILE . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.040000000000006 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' CG ' HG22 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.099999999999994 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.210000000000001 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 75.310000000000002 109.254 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG21 ' CD ' ' A' ' 99' ' ' LYS . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 72.530000000000001 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.450000000000003 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.409999999999997 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 72.019999999999996 110.307 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.585 ' CHA' ' CGA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.120000000000005 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.019999999999996 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 94' ' ' LEU . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 75.409999999999997 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.230000000000004 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.109999999999999 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 75.230000000000004 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.310000000000002 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 62.210000000000001 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 34.5 tp60 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.140000000000001 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.520000000000003 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' CE1' ' HD2' ' A' ' 30' ' ' PRO . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.450000000000003 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.140000000000001 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 74.129999999999995 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 75.319999999999993 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 110.341 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 18' ' ' HIS . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.040000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.150000000000006 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 62.329999999999998 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 59' ' ' TRP . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 73.200000000000003 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 74.450000000000003 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.030000000000001 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 75.420000000000002 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.526 ' CG2' ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.219999999999999 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.039999999999999 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.409999999999997 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 72.010000000000005 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' HBD1 ' A' ' 500' ' ' HEC . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.510000000000005 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 71.310000000000002 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.230000000000004 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.349999999999994 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.049999999999997 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 64.319999999999993 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.340000000000003 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.519999999999996 110.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.519999999999996 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' TYR . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 74.420000000000002 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 75.209999999999994 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 72.120000000000005 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 73.400000000000006 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.530000000000001 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 74.230000000000004 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.014 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 67' ' ' TYR . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.510000000000005 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.299999999999997 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.471 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.540000000000006 110.453 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.497 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.200000000000003 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.010000000000005 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 72.340000000000003 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 73.019999999999996 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 75.209999999999994 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.040000000000006 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.430000000000007 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.099999999999994 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 74.329999999999998 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 74.430000000000007 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.54 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.129999999999995 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 72.530000000000001 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.530000000000001 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' HE3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.450000000000003 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.200000000000003 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.409999999999997 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.019999999999996 110.26 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.569 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.12 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.02 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 100' ' ' LYS . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.34 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.22 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.34 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.869 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 73.13 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HG2' HD11 ' A' ' 11' ' ' ILE . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.23 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.23 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.869 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.43 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.03 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.11 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' HG2' ' A' ' 7' ' ' LYS . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 64.23 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.43 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 61.54 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.31 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 53.25 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.14 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.52 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 19' ' ' THR . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 64.43 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.3 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.45 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.13 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.14 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 72.53 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 72.44 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.04 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.1 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.51 110.436 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.54 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.54 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.13 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.04 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.15 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 44.34 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 52.04 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.41 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.03 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 72.11 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.33 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.98 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.11 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.22 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.11 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.04 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.41 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.44 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 65.11 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 63.25 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.44 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.51 110.422 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 62.11 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.23 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.35 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.33 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.05 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HA ' ' HZ2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 73.03 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.598 HD11 ' CH2' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 51.13 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' HG21 ' A' ' 63' ' ' THR . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 60.14 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.98 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.34 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.727 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.12 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.52 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 52.34 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.705 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.52 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 64.34 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 54.13 110.992 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.14 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' HD23 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 71.14 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 67' ' ' TYR . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.15 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.21 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 64.01 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 62.33 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.53 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.42 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.44 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.656 HD13 ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.51 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.3 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.13 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.54 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.45 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.2 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.32 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.01 110.975 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 54.11 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.547 ' N ' HG13 ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 70.24 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 62.43 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.04 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.479 ' HZ3' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.32 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 62.35 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.43 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' HZ3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.1 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 85' ' ' ILE . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.51 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 44.1 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.21 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 ' HD1' ' A' ' 10' ' ' PHE . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.05 109.283 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.13 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 53.11 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.34 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.03 HD21 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.33 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.11 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 3' ' ' VAL . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.41 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.54 109.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.34 110.423 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.3 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 64.02 110.256 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.12 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.02 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 72.34 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.22 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.34 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.996 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 73.13 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.564 ' CG ' HD11 ' A' ' 11' ' ' ILE . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.23 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.23 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.996 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.43 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.849 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.11 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 64.23 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.43 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 61.54 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.31 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 53.25 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.14 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.52 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 64.43 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.3 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.45 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.13 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.14 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 72.53 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 72.44 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 46' ' ' TYR . 22.0 m170 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.04 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.1 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.51 110.395 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.54 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.54 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.13 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' CD2' HD22 ' A' ' 35' ' ' LEU . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.04 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 17.1 t60 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.15 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 44.34 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 32' ' ' LEU . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 52.04 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 73.41 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.03 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' CG ' HD12 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 72.11 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 74.33 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.819 HG22 ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.11 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.22 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 9.9 mm100 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.11 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.04 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.41 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.44 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.601 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 65.11 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 63.25 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.808 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.44 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.51 110.461 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 62.11 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.23 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.35 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.33 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.05 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 73.03 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.665 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 51.13 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 60.14 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.819 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.34 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.742 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.12 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.52 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 52.34 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.52 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 64.34 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.557 ' HE3' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 54.13 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.14 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' A' ' 68' ' ' LEU . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 71.14 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HB2' HH21 ' A' ' 91' ' ' ARG . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 71.15 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.21 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 64.01 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 62.33 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.53 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.42 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.44 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.767 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.51 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.3 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.13 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.54 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.45 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.2 111.012 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 72.32 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 83' ' ' VAL . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.01 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 54.11 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 70.24 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 62.43 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.04 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.32 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.43 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.1 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.748 HH22 HD11 ' A' ' 95' ' ' ILE . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 72.51 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 44.1 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.21 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.05 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 HH22 ' A' ' 91' ' ' ARG . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.13 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 53.11 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 73.34 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.849 HD21 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.33 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.11 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.41 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.54 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.34 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 72.3 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 64.02 110.29 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.12 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.02 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.34 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.22 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.34 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.886 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 73.13 110.937 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.23 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.23 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.886 HD12 ' HA2' ' A' ' 6' ' ' GLY . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.43 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.989 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 64.23 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.43 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 61.54 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.31 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 53.25 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.14 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.52 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 19' ' ' THR . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.43 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.3 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.45 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.13 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.14 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 72.53 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 72.44 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.04 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.1 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.51 110.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.54 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.54 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.13 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD2' HD22 ' A' ' 35' ' ' LEU . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.04 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 14.8 t60 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.15 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 44.34 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.857 HD12 ' HD3' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 52.04 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.41 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.03 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.857 ' HD3' HD12 ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 72.11 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.33 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.11 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.22 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HB3' HH21 ' A' ' 38' ' ' ARG . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.11 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.04 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.41 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.44 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 65.11 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 63.25 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.44 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.51 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 62.11 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.23 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.35 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.33 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.05 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 73.03 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 51.13 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 60.14 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.989 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.34 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.12 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.52 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 52.34 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.859 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.52 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 64.34 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 54.13 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.14 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 71.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 71.15 109.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.21 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 64.01 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 62.33 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.53 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 73.42 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.44 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.51 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.3 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.13 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.54 110.42 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.45 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.2 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 81' ' ' ILE . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.32 109.347 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.01 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 54.11 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 70.24 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 62.43 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.04 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.32 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.35 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.43 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.1 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 72.51 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 44.1 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.21 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 74.05 109.277 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.13 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 53.11 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 73.34 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.989 HD21 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.33 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.11 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.41 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.54 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.34 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 72.3 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 64.02 110.258 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.12 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.02 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 97' ' ' TYR . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 72.34 109.374 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.22 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.34 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 73.13 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.23 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.23 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.43 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.073 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.11 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 64.23 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.43 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE3' HG23 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.54 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.31 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 53.25 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.14 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.52 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CE1' HD21 ' A' ' 32' ' ' LEU . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 64.43 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.3 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.45 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.14 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 72.53 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 72.44 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.04 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.1 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.51 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.54 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.54 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.1 t30 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.13 109.286 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 18' ' ' HIS . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.04 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.15 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 44.34 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 52.04 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 73.41 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.03 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 72.11 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.866 ' HE2' HD11 ' A' ' 58' ' ' ILE . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 74.33 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' NE1' ' A' ' 59' ' ' TRP . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.11 110.293 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.22 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.11 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.777 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.04 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.41 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.44 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 65.11 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 63.25 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.44 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.51 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.11 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.23 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.35 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.05 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 73.03 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 51.13 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.866 HD11 ' HE2' ' A' ' 39' ' ' LYS . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 60.14 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.34 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.991 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.12 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.52 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 52.34 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.501 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.52 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.34 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.493 ' HA ' HH21 ' A' ' 91' ' ' ARG . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 54.13 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.14 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.14 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD12 HH12 ' A' ' 91' ' ' ARG . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 71.15 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.21 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 64.01 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 62.33 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.53 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.42 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.44 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 78' ' ' THR . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.51 109.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.3 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.13 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.54 110.416 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.45 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 71' ' ' PRO . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.2 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 72.32 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.01 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 54.11 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 70.24 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' ILE . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 62.43 109.372 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.04 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.32 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 62.35 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.43 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.1 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.966 ' NH2' HD11 ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 72.51 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 44.1 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.21 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.05 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.966 HD11 ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.13 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 53.11 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.34 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.073 HD21 ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.33 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' CD ' HG22 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.11 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.41 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.54 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.34 110.398 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.3 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 64.02 110.354 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.12 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.02 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 72.34 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.22 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.34 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.916 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 73.13 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.23 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.23 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.916 HD12 ' HA2' ' A' ' 6' ' ' GLY . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.43 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.884 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.11 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 64.23 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.43 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 61.54 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.31 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 53.25 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.14 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.52 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.43 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.3 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.45 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.13 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.14 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 72.53 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 72.44 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.04 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.51 110.374 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.54 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.54 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.13 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.04 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.15 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 44.34 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD12 ' HD3' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 52.04 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.87 ' CE2' HD12 ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.41 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.03 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HD3' HD12 ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 72.11 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 74.33 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.913 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.11 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.22 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HH21 ' A' ' 38' ' ' ARG . 12.3 mm100 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.11 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.04 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.41 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.44 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 65.11 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 63.25 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.44 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.726 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.51 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 62.11 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.23 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.35 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.05 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 73.03 110.995 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 51.13 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.814 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 60.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.913 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.34 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.12 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.52 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 52.34 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.814 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.52 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.87 HD12 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 64.34 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 54.13 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.14 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 71.14 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.826 HD12 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 71.15 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.21 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 64.01 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 62.33 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.53 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.42 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.44 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.772 ' O ' HG22 ' A' ' 78' ' ' THR . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.51 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.3 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.13 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.54 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.726 ' NZ ' HG23 ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.45 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.432 ' HE2' ' CG ' ' A' ' 71' ' ' PRO . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.2 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 72.32 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.01 111.029 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 54.11 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 70.24 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 62.43 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.04 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.32 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 62.35 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.43 110.319 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.1 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 95' ' ' ILE . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.51 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 44.1 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.21 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 9' ' ' ILE . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.05 109.3 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' ARG . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.13 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 53.11 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 73.34 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.33 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.11 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 72.41 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.54 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.34 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 72.3 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 64.02 110.31 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.12 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.02 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 97' ' ' TYR . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.34 109.337 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.22 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.34 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 73.13 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.23 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.23 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.43 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.11 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 64.23 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.43 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 61.54 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.31 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 53.25 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.14 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.52 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 64.43 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.3 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.45 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HB2' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.13 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.14 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 72.53 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 72.44 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.04 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.1 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.51 110.37 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.54 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.54 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.13 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.04 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.15 109.613 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 44.34 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 59' ' ' TRP . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 52.04 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.732 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 73.41 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.03 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 42' ' ' GLN . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 72.11 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 74.33 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.11 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.22 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HB3' HH21 ' A' ' 38' ' ' ARG . 5.0 mm100 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.11 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.04 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.41 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.44 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 65.11 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 63.25 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.846 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.44 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.51 110.392 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 62.11 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.23 109.26 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.35 109.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.33 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.05 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 73.03 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 51.13 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 60.14 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 40' ' ' THR . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.34 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.12 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.52 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 52.34 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 57' ' ' ILE . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.52 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.34 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.13 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.14 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.14 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.15 109.328 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.21 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 64.01 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 62.33 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.53 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.42 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.44 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' ALA . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.51 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.3 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.13 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.54 110.376 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.45 109.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.2 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 72.32 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.01 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 54.11 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 70.24 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 62.43 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.04 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.32 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 62.35 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.43 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.1 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 72.51 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 44.1 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.21 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 9' ' ' ILE . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 74.05 109.282 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 98' ' ' LEU . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.13 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 53.11 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.624 ' OH ' HG21 ' A' ' 20' ' ' VAL . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 73.34 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.33 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.11 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.41 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.54 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.34 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.3 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 64.02 110.339 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.12 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.02 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 97' ' ' TYR . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.22 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.34 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.842 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 73.13 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.23 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.23 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.842 HD12 ' HA2' ' A' ' 6' ' ' GLY . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.43 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.11 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 64.23 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.43 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 61.54 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.31 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 53.25 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 65.7 mm-40 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.14 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.52 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.713 ' O ' HG23 ' A' ' 19' ' ' THR . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 64.43 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.889 HG13 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.3 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.45 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.13 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.14 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 72.53 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.44 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.04 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.1 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.51 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.54 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.54 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.13 109.245 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.04 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.421 ' HB2' ' N ' ' A' ' 21' ' ' GLU . 6.2 t60 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.15 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 44.34 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 52.04 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 73.41 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.03 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.552 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 72.11 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.33 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.854 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.11 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.22 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' HH21 ' A' ' 38' ' ' ARG . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.11 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.04 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.41 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.44 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 65.11 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 63.25 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.852 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.44 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.501 HG22 ' NZ ' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.51 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 62.11 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.23 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.35 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.33 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.05 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 73.03 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 51.13 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.603 ' O ' HG21 ' A' ' 63' ' ' THR . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 60.14 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.854 ' NE1' HG22 ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.34 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.12 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.52 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 52.34 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.603 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.52 110.376 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 60' ' ' GLY . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 64.34 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 54.13 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.74 ' CE1' HD12 ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 71.14 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 71.15 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.21 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 64.01 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' O ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 62.33 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.53 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 73.42 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.44 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.51 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.3 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.13 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 71' ' ' PRO . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.54 110.373 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.501 ' NZ ' HG22 ' A' ' 49' ' ' THR . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.45 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.2 111.042 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 72.32 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.01 111.019 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.11 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 70.24 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 62.43 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.04 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.32 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 62.35 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.43 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.1 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 72.51 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 44.1 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.21 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 74.05 109.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.13 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 53.11 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 73.34 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 102' ' ' THR . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.33 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.594 ' HD3' HG22 ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.11 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.41 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.54 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.34 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 72.3 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 64.02 110.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.12 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.02 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 72.34 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.22 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.34 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.932 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 73.13 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.23 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.23 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.932 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.43 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.933 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.11 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 64.23 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 11' ' ' ILE . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.43 111.017 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 61.54 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.31 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 53.25 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.14 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.52 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 19' ' ' THR . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 64.43 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG13 ' CE1' ' A' ' 10' ' ' PHE . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.3 109.325 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.45 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.13 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.14 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 72.53 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.44 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.04 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.1 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.51 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.54 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.54 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.13 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.04 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.15 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 44.34 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 59' ' ' TRP . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 52.04 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 73.41 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.03 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HE ' HD12 ' A' ' 35' ' ' LEU . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 72.11 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 74.33 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.83 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.11 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.22 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.11 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.04 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.41 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.44 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 65.11 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 63.25 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.44 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.807 HG23 ' HD2' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.51 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 62.11 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.23 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.35 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.33 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.05 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 73.03 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' THR . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 51.13 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 60.14 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.83 ' NE1' HG22 ' A' ' 40' ' ' THR . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.34 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.12 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.52 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 52.34 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.52 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 64.34 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 54.13 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.14 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.14 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 71.15 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.21 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 64.01 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 62.33 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.53 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 73.42 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.51 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.3 111.015 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.13 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.54 110.38 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.807 ' HD2' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.45 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.2 111.004 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 72.32 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.01 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 54.11 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 70.24 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 62.43 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.04 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.32 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.35 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.43 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.1 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.51 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 44.1 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.21 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 74.05 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.13 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 53.11 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 73.34 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.33 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.11 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.41 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.54 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.87 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.34 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 72.3 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 64.02 110.313 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.12 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.02 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 72.34 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.22 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.34 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 1.007 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 73.13 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.23 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.23 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.007 HD12 ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.43 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.91 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.11 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 64.23 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.43 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 61.54 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.31 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 53.25 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.14 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.52 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 64.43 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.3 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.45 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.13 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.14 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 72.53 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 72.44 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.04 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.1 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.51 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.54 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.54 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.402 ' C ' HD23 ' A' ' 32' ' ' LEU . 10.9 t30 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.13 109.285 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.04 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 2.9 t-160 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.15 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 44.34 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 59' ' ' TRP . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 52.04 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.41 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.03 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.733 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 72.11 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.33 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.11 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.22 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.733 ' HB3' HH21 ' A' ' 38' ' ' ARG . 11.1 mm100 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.11 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.826 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.04 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.41 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.44 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 65.11 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 63.25 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.826 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.51 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 62.11 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.23 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.35 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 73.03 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.95 HD13 HG21 ' A' ' 63' ' ' THR . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 51.13 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 60.14 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.8 ' NE1' HG22 ' A' ' 40' ' ' THR . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.34 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.12 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.52 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 52.34 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.95 HG21 HD13 ' A' ' 57' ' ' ILE . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.52 110.413 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 64.34 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.909 ' CG ' HH21 ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 54.13 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.14 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.14 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 71.15 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.21 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.01 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 62.33 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.53 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 73.42 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.44 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.51 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.3 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.13 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.54 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.45 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.2 111.011 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 72.32 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.01 110.942 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 54.11 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 70.24 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 62.43 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.04 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.32 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.35 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.43 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.611 ' HB3' HG21 ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.1 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.909 HH21 ' CG ' ' A' ' 65' ' ' MET . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 72.51 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 44.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.21 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 74.05 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.13 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 53.11 109.259 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 73.34 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 10' ' ' PHE . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.33 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.11 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 72.41 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.54 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.34 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.3 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 64.02 110.303 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.12 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.02 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 72.34 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.22 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.34 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 73.13 110.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.23 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.23 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.43 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.13 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.11 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.511 HG22 ' HG3' ' A' ' 12' ' ' MET . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 64.23 109.296 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.43 110.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 61.54 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.31 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 53.25 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.14 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.52 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 64.43 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.3 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.45 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.13 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.14 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 72.53 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 72.44 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.04 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.1 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.51 110.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.54 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.54 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.648 ' O ' HD23 ' A' ' 32' ' ' LEU . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.13 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 31' ' ' ASN . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.04 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.15 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 44.34 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 52.04 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLY . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 73.41 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.03 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 72.11 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.796 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 74.33 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.74 HG22 ' NE1' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.11 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.22 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 14.9 mm100 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.11 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.04 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.41 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.44 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 65.11 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 63.25 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.44 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.444 HG21 ' HG3' ' A' ' 79' ' ' LYS . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.51 110.404 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 62.11 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.23 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.35 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.33 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.05 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' HD13 ' A' ' 75' ' ' ILE . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 73.03 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 51.13 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.796 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 60.14 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.74 ' NE1' HG22 ' A' ' 40' ' ' THR . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.34 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.12 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.52 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 52.34 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 58' ' ' ILE . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.52 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 64.34 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.827 ' HG2' HH21 ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 54.13 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.14 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 71.14 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.894 HD13 ' HB2' ' A' ' 91' ' ' ARG . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 71.15 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.21 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 64.01 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 62.33 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.53 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 73.42 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.44 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.495 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.51 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.3 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.13 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.495 ' HB ' HG22 ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.54 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 49' ' ' THR . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.45 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.2 111.028 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 72.32 109.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.01 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.11 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 70.24 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 90' ' ' GLU . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 62.43 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.04 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.32 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 62.35 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.43 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HB3' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.1 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.894 ' HB2' HD13 ' A' ' 68' ' ' LEU . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 72.51 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 44.1 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.21 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' HD1' ' A' ' 10' ' ' PHE . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 74.05 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG22 ' CE ' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.13 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 53.11 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 73.34 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.13 HD21 ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.33 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.557 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.11 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 72.41 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.54 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.34 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 72.3 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 64.02 110.339 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.12 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.02 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 72.34 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.22 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.34 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.963 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 73.13 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.23 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.23 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.963 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.43 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE1' HG13 ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.11 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 64.23 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.43 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 61.54 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.31 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 53.25 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.14 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.52 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CE1' HD21 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.43 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.055 HG13 ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.3 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.45 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.13 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.14 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 72.53 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.651 ' HZ3' ' HE2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 72.44 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.04 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE2' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.1 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.51 110.401 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.54 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.54 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.13 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.04 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' LYS . 7.7 t60 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.15 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 44.34 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 32' ' ' LEU . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 52.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.41 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.03 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 72.11 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 74.33 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.741 HG22 ' NE1' ' A' ' 59' ' ' TRP . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.11 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.22 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.11 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.04 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.41 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.44 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 65.11 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 63.25 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.44 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.51 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 62.11 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.23 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.35 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.33 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.05 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 73.03 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 51.13 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 60.14 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.741 ' NE1' HG22 ' A' ' 40' ' ' THR . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.34 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.12 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.879 ' HB3' HG21 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.52 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 52.34 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.52 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' GLY . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 64.34 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.466 ' HE1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 54.13 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.14 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 71.14 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 71.15 109.353 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.21 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 2.2 t-20 -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.01 109.274 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 62.33 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.53 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.42 109.245 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.44 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 78' ' ' THR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.51 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.536 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.3 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.13 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.842 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.54 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.45 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' LYS . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.2 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 81' ' ' ILE . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.32 109.22 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.01 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 54.11 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 70.24 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 62.43 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.04 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.32 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HG2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 62.35 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.43 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.1 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 72.51 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 44.1 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.21 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.05 109.295 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.13 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 53.11 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.34 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.33 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.11 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 72.41 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.54 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.34 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 72.3 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 64.02 110.325 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.12 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.02 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 97' ' ' TYR . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 72.34 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.22 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.34 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.919 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 73.13 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.23 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.23 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.919 HD12 ' HA2' ' A' ' 6' ' ' GLY . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.43 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.11 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.23 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.43 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 61.54 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.31 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 53.25 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.14 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.52 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.726 ' CE1' HD21 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.43 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' C ' ' A' ' 18' ' ' HIS . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.3 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.45 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.13 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.14 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 72.53 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 72.44 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.04 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.1 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.51 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.54 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.54 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.6 t30 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.13 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.04 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.15 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 44.34 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 52.04 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.76 ' CZ ' HD12 ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 73.41 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.03 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 72.11 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 74.33 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.568 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.11 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.22 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.847 ' HB3' HH21 ' A' ' 38' ' ' ARG . 14.7 mm100 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.11 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.04 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.41 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.44 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 65.11 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 63.25 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.44 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.529 HG21 ' HG2' ' A' ' 79' ' ' LYS . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.51 110.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 62.11 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.756 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.23 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.35 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.33 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.05 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 73.03 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 51.13 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 60.14 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 40' ' ' THR . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.34 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.12 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.52 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 52.34 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.52 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 64.34 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 54.13 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.14 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.14 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 91' ' ' ARG . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 71.15 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.21 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 64.01 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 62.33 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.53 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.42 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.44 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.756 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.51 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.3 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.13 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.54 110.47 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HG2' HG21 ' A' ' 49' ' ' THR . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.45 109.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.2 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' ILE . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 72.32 109.339 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.01 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 54.11 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 70.24 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 87' ' ' LYS . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 62.43 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.04 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 85' ' ' ILE . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.32 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 62.35 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.43 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.1 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 72.51 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 44.1 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.21 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 6' ' ' GLY . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.05 109.277 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.13 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 53.11 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.34 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.33 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.11 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.41 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.54 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.34 110.404 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 72.3 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 64.02 110.253 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.12 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.02 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' TYR . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.34 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.22 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.34 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 73.13 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.23 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.23 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.43 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.11 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 12' ' ' MET . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 64.23 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.53 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.43 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 61.54 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.31 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 53.25 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.14 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.52 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.43 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.3 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.45 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.13 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.14 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 72.53 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 72.44 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.04 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.1 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.51 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.54 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.54 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.714 ' O ' HD23 ' A' ' 32' ' ' LEU . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.13 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 31' ' ' ASN . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.04 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 12.5 t60 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.15 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 44.34 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 52.04 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.41 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.03 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 72.11 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 74.33 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.579 HG22 ' CE2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.11 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.22 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.11 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.04 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.41 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.44 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 65.11 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 63.25 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.44 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.608 HG22 ' HE2' ' A' ' 79' ' ' LYS . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.51 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 62.11 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.23 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.35 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.33 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.05 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' A' ' 75' ' ' ILE . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 73.03 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 51.13 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.815 ' O ' HG21 ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 60.14 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE2' HG22 ' A' ' 40' ' ' THR . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.34 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.12 111.016 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.52 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 52.34 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.52 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 60' ' ' GLY . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 64.34 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 54.13 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.14 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 71.14 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.15 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.21 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 64.01 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 62.33 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.53 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 73.42 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.44 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.51 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.3 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.13 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.54 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.608 ' HE2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.45 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.2 110.957 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 72.32 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.01 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 54.11 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 70.24 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.43 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.04 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.32 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.35 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.43 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.1 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.51 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 44.1 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.21 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 6' ' ' GLY . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 74.05 109.332 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.13 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 53.11 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.34 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.97 HD21 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.33 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.11 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' VAL . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 72.41 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.54 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.34 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 72.3 109.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 64.02 110.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.12 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.02 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 97' ' ' TYR . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 72.34 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.22 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.34 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 73.13 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.23 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.23 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 13' ' ' LYS . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.43 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.198 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.11 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 64.23 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.43 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 61.54 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.31 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 53.25 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.14 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.52 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 64.43 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.3 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.45 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.13 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.14 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 72.53 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 72.44 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.04 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.1 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.51 110.331 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.54 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.54 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.0 t30 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.13 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.04 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 3.8 t-160 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.15 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 44.34 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 52.04 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 73.41 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.03 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 72.11 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.013 HG22 ' NE1' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.11 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.22 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.11 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.04 109.274 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.41 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.44 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.11 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 63.25 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.44 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.526 HG21 ' HD3' ' A' ' 79' ' ' LYS . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.51 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 62.11 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.23 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.35 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.33 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.05 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 73.03 111.003 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.739 HD13 ' CG2' ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 51.13 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.805 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 60.14 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.34 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.12 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.52 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 52.34 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.52 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 64.34 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 54.13 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.14 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' HD12 ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 71.14 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 71.15 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.21 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.01 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 62.33 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.53 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 73.42 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.44 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.797 ' O ' HG22 ' A' ' 78' ' ' THR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.51 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.583 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.3 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.13 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.54 110.454 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.526 ' HD3' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.45 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.2 111.003 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 72.32 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.01 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 54.11 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 70.24 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 62.43 109.291 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.04 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.32 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 62.35 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.43 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.45 ' CG ' HG21 ' A' ' 85' ' ' ILE . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.1 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 72.51 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 44.1 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.21 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.05 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.13 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.11 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.781 ' HA ' HG13 ' A' ' 3' ' ' VAL . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 73.34 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.198 HD21 ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.33 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.11 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG3' HG21 ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 72.41 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.54 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.34 110.474 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 72.3 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 64.02 110.352 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.12 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.02 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 72.34 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.22 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.34 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.684 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 73.13 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 11' ' ' ILE . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.23 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 11' ' ' ILE . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.23 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.684 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.43 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.11 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 8' ' ' LYS . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 64.23 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.43 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 61.54 109.303 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.31 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 53.25 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 17.4 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.14 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.52 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.43 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.892 HG21 ' HB1' ' A' ' 101' ' ' ALA . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.3 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.45 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.13 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.14 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 72.53 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 72.44 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 46' ' ' TYR . 22.7 m170 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.04 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.1 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 110.396 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.54 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.54 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.13 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 35' ' ' LEU . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.04 109.241 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 19.7 t60 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.15 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 44.34 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 52.04 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.41 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.03 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 72.11 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 74.33 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' NE1' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.11 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.735 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.22 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.11 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.603 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.04 109.275 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.41 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.44 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.612 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 65.11 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.25 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.44 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.51 110.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.11 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.23 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.35 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.33 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.05 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 73.03 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.654 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 51.13 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 60.14 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.698 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.34 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.12 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.52 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 52.34 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.52 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 64.34 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' HH21 ' A' ' 91' ' ' ARG . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 54.13 111.018 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.14 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 68' ' ' LEU . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.14 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 67' ' ' TYR . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.15 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.21 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 64.01 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 62.33 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.53 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 73.42 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.44 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.898 ' O ' HG22 ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.51 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.3 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.13 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.54 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.45 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.2 111.056 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 72.32 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.01 110.997 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 54.11 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 70.24 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 62.43 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.04 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.32 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 62.35 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.43 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.1 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.814 HH21 ' HG2' ' A' ' 65' ' ' MET . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.51 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 44.1 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.21 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 74.05 109.356 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.13 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.11 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.34 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.33 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.11 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 72.41 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.892 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.54 109.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.03 HG22 ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.34 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.3 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.02 110.356 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.12 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.02 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.34 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.22 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.34 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.744 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 73.13 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HG2' HD11 ' A' ' 11' ' ' ILE . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.23 109.256 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.23 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.744 HD12 ' HA2' ' A' ' 6' ' ' GLY . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.43 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.995 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.11 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.62 HG22 ' HG3' ' A' ' 12' ' ' MET . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 64.23 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.62 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.43 110.969 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.54 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.31 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 53.25 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.14 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.52 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 64.43 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.3 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.45 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.13 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.14 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 72.53 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 72.44 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.04 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.1 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' LYS . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.51 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.54 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.54 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.13 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 35' ' ' LEU . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.04 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.15 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 44.34 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CD1' ' A' ' 59' ' ' TRP . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 52.04 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE2' HD12 ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 73.41 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.03 110.949 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' NE ' HD12 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 72.11 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 74.33 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.932 HG22 ' NE1' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.11 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.22 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.11 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.04 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.41 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.44 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 65.11 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 63.25 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.44 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.51 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 62.11 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.23 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.35 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.33 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.05 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 73.03 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 HD11 ' CH2' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 51.13 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 60.14 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.932 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.34 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.12 110.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HG3' ' HZ1' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.52 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 52.34 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.52 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD12 ' CE2' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 64.34 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 54.13 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.14 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 75' ' ' ILE . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 71.14 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 71.15 109.28 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.21 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 64.01 109.377 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.459 ' CG ' ' HE2' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 62.33 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.53 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 73.42 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.44 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 78' ' ' THR . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.51 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.3 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.13 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.54 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.45 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.459 ' HE2' ' CG ' ' A' ' 71' ' ' PRO . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.2 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.32 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.01 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 54.11 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 70.24 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 62.43 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.04 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.32 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 62.35 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.43 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.531 ' OE1' HD13 ' A' ' 9' ' ' ILE . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.1 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.51 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 44.1 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.21 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 74.05 109.281 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.13 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 53.11 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.34 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.995 HD21 ' CE1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.33 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.11 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.41 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.54 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.34 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 72.3 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 64.02 110.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.12 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.02 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG11 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.34 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.22 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.34 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 73.13 111.02 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.23 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.23 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 6' ' ' GLY . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.43 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.182 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.11 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 64.23 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.43 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 61.54 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.31 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 53.25 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.14 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.52 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.71 ' O ' HG23 ' A' ' 19' ' ' THR . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 64.43 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.3 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.45 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.13 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.14 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 72.53 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 72.44 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.04 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.1 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.51 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.54 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.54 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.634 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.13 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 31' ' ' ASN . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.04 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.15 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 44.34 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 52.04 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 73.41 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.03 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 72.11 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 74.33 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.017 HG22 ' NE1' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.11 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.22 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.11 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.04 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.41 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.44 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 65.11 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 63.25 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.44 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.51 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 62.11 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.23 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.35 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.33 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.05 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 73.03 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 51.13 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.993 ' O ' HG21 ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 60.14 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.017 ' NE1' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.34 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.857 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.12 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.52 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 52.34 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.993 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.52 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 64.34 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 54.13 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.14 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 71.14 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 71.15 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.21 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 64.01 109.295 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 62.33 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.53 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.42 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.44 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.51 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.3 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.13 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.54 110.437 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.45 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.2 111.021 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 72.32 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.01 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 54.11 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 70.24 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.517 HD12 ' HG3' ' A' ' 91' ' ' ARG . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 62.43 109.363 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.04 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.32 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 62.35 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.43 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.1 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.51 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 44.1 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.21 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.05 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 64' ' ' LEU . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.13 109.333 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.11 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' A' ' 20' ' ' VAL . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 73.34 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.182 HD21 ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.33 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.11 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.709 ' CB ' HG11 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.41 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.54 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.34 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.3 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 64.02 110.292 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.12 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.02 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 72.34 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.22 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.34 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.981 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 73.13 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HE3' HD11 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.23 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.929 ' HA ' HD12 ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.23 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.981 HD12 ' HA2' ' A' ' 6' ' ' GLY . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.43 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.12 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.11 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 64.23 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.43 110.918 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 61.54 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.31 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 53.25 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.14 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.52 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.702 ' O ' HG23 ' A' ' 19' ' ' THR . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 64.43 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.3 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.45 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.13 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.14 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 72.53 110.942 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 72.44 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.04 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.1 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.51 110.395 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.54 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.54 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.13 109.305 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.04 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.15 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 44.34 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 52.04 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 73.41 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.03 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.641 ' HD2' HD12 ' A' ' 35' ' ' LEU . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 72.11 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 74.33 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.785 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.11 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.22 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.11 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.04 109.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.41 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.44 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 65.11 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 63.25 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.44 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.51 110.373 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 62.11 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.23 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.35 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.33 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.05 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 73.03 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 51.13 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 60.14 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.785 ' NE1' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.34 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.12 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.52 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 52.34 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.52 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 60' ' ' GLY . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 64.34 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 54.13 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.14 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 71.14 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 71.15 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.21 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 64.01 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 62.33 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.53 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 73.42 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.44 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.51 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.553 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.3 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.13 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 75' ' ' ILE . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.54 110.468 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.45 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.2 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.32 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.01 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 54.11 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 70.24 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 62.43 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.04 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.32 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 62.35 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.1 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.51 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 44.1 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.21 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.05 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.13 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 53.11 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.34 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.12 HD21 ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.33 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.11 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 72.41 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.54 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.34 110.382 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 72.3 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 64.02 110.293 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.12 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.02 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 72.34 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.22 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.34 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 73.13 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 11' ' ' ILE . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.23 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.23 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.43 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.086 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.11 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.656 HD11 ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 64.23 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 11' ' ' ILE . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.43 111.034 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 61.54 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.31 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 53.25 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.14 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.52 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.43 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.3 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.45 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.445 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.13 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.14 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 72.53 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 72.44 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.04 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.1 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.51 110.344 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.54 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.54 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.13 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.04 109.28 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 22' ' ' LYS . 6.2 t60 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.15 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 44.34 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD21 ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 52.04 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 73.41 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.03 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 72.11 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.33 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.061 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.11 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.22 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ALA . 39.3 tp60 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.11 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.04 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.41 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.44 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 65.11 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.25 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.44 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.51 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 62.11 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.23 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 9.1 t-20 -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.35 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.33 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.05 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 73.03 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.782 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 51.13 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG21 ' A' ' 63' ' ' THR . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 60.14 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.061 ' NE1' HG22 ' A' ' 40' ' ' THR . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.34 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.12 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.52 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 52.34 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 58' ' ' ILE . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.52 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 64.34 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 54.13 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.14 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.14 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 95' ' ' ILE . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 71.15 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.21 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 64.01 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 62.33 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.53 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 73.42 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.44 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.51 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.3 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.13 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.54 110.436 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.45 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.2 111.048 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.32 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.01 110.952 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 54.11 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 70.24 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 62.43 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.04 109.245 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.32 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.35 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.43 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CG ' HG21 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.1 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 72.51 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 44.1 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.21 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 74.05 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 HD12 ' A' ' 68' ' ' LEU . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.13 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 53.11 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 73.34 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.086 HD21 ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.33 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.11 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.41 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.54 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.34 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.3 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 64.02 110.307 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.12 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.02 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 72.34 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.22 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.34 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 73.13 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.23 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.23 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.703 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.43 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.067 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.11 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 64.23 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.43 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 61.54 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.31 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.25 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.14 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.52 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 19' ' ' THR . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.43 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.3 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.45 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.13 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.14 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 72.53 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 72.44 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.04 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.1 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.51 110.341 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.54 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.54 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.13 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 35' ' ' LEU . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.04 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.15 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 44.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 32' ' ' LEU . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 52.04 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 73.41 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.03 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 72.11 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.33 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.009 HG22 ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.11 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.22 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.11 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.04 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.41 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.44 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 65.11 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.25 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.44 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.447 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.51 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 62.11 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.23 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.35 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.33 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.05 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 73.03 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' THR . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 51.13 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 60.14 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.009 ' NE1' HG22 ' A' ' 40' ' ' THR . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.34 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.717 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.12 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.553 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.52 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 52.34 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.988 HG21 HD13 ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.52 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 64.34 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 54.13 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.14 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 71.14 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 71.15 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.21 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.01 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 62.33 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.53 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 73.42 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.44 111.014 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HH2' ' A' ' 59' ' ' TRP . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.51 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.3 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.13 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 75' ' ' ILE . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.54 110.453 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.45 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.2 110.996 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 81' ' ' ILE . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.32 109.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.01 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 54.11 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 70.24 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.688 HG21 ' H ' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 62.43 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.04 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.554 ' O ' HG22 ' A' ' 85' ' ' ILE . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.32 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 62.35 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.43 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.1 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' HG21 ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 72.51 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 44.1 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.21 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.51 HD13 ' HB ' ' A' ' 9' ' ' ILE . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.05 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.772 ' CG2' ' HZ2' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.13 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 53.11 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 73.34 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.33 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.772 ' HZ2' ' CG2' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.11 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 72.41 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.54 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.34 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 72.3 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 64.02 110.26 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.12 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.02 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 100' ' ' LYS . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.34 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.22 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.34 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.869 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 73.13 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HG2' HD11 ' A' ' 11' ' ' ILE . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.23 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.23 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.869 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.43 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.03 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.11 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' HG2' ' A' ' 7' ' ' LYS . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 64.23 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.43 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 61.54 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.31 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 53.25 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.14 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.52 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 19' ' ' THR . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 64.43 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.3 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.45 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.13 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.14 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 72.53 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 72.44 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.04 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.1 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' HMD3 ' A' ' 500' ' ' HEC . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.51 110.436 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.54 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.54 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.13 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.04 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.15 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 44.34 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.783 HD21 HMA3 ' A' ' 500' ' ' HEC . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 52.04 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.41 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.03 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 72.11 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.33 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.98 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.11 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.22 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.11 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.04 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.41 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.44 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 65.11 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 63.25 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.44 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.548 HG23 HBD2 ' A' ' 500' ' ' HEC . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.51 110.422 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 62.11 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.23 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.35 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.33 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.05 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HA ' ' HZ2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 73.03 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.598 HD11 ' CH2' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 51.13 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' HG21 ' A' ' 63' ' ' THR . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 60.14 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.98 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.34 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.727 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.12 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.52 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 52.34 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.705 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.52 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 64.34 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 54.13 110.992 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.14 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' HD23 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 71.14 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD21 HMB2 ' A' ' 500' ' ' HEC . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.15 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.21 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 64.01 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 62.33 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.53 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.42 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.44 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.656 HD13 ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.51 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.3 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.13 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.54 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.45 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.2 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.32 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.01 110.975 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 54.11 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.547 ' N ' HG13 ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 70.24 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 62.43 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.04 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.479 ' HZ3' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.32 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 62.35 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.43 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' HZ3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.1 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 85' ' ' ILE . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.51 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 44.1 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.21 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 ' HD1' ' A' ' 10' ' ' PHE . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.05 109.283 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.13 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 53.11 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.34 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.03 HD21 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.33 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.11 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 3' ' ' VAL . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.41 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.54 109.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.34 110.423 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.3 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 64.02 110.256 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.804 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.12 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.02 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 72.34 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.22 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.34 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.996 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 73.13 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' CG ' HD11 ' A' ' 11' ' ' ILE . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.23 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.23 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.996 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.43 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.849 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.11 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 64.23 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.43 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 61.54 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.31 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 53.25 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.14 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.52 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 64.43 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.3 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.45 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.13 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.14 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 72.53 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 72.44 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 46' ' ' TYR . 22.0 m170 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.04 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.1 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' HMD3 ' A' ' 500' ' ' HEC . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.51 110.395 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.54 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.54 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.13 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' CD2' HD22 ' A' ' 35' ' ' LEU . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.04 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 17.1 t60 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.15 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 44.34 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 32' ' ' LEU . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 52.04 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 73.41 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.03 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' CG ' HD12 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 72.11 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 74.33 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.819 HG22 ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.11 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.22 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 9.9 mm100 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.11 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.04 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.41 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.44 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.601 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 65.11 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 63.25 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.808 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.44 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' HBD2 ' A' ' 500' ' ' HEC . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.51 110.461 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 62.11 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.23 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.35 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.33 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.05 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 73.03 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.665 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 51.13 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 60.14 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.34 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.742 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.12 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.52 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 52.34 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.52 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 64.34 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.557 ' HE3' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 54.13 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.14 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' OH ' ' C1A' ' A' ' 500' ' ' HEC . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 71.14 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HB2' HH21 ' A' ' 91' ' ' ARG . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 71.15 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.21 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 64.01 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 62.33 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.53 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.42 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.44 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.767 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.51 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.3 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.13 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.54 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.45 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.2 111.012 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 72.32 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 83' ' ' VAL . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.01 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 54.11 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 70.24 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 62.43 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.04 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.32 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.43 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.1 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.748 HH22 HD11 ' A' ' 95' ' ' ILE . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 72.51 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 44.1 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.21 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.05 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 HH22 ' A' ' 91' ' ' ARG . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.13 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 53.11 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 73.34 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD21 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.33 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.11 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.41 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.54 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.34 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 72.3 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 64.02 110.29 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.792 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.12 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.02 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.34 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.22 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.34 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.886 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 73.13 110.937 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.23 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.23 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.886 HD12 ' HA2' ' A' ' 6' ' ' GLY . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.43 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.989 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 64.23 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.43 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 61.54 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.31 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 53.25 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.14 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.52 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 19' ' ' THR . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.43 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.3 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.45 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.13 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.14 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 72.53 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 72.44 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.04 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.1 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HMD3 ' A' ' 500' ' ' HEC . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.51 110.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.54 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.54 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.13 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD2' HD22 ' A' ' 35' ' ' LEU . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.04 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 14.8 t60 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.15 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 44.34 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.857 HD12 ' HD3' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 52.04 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.41 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.03 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.857 ' HD3' HD12 ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 72.11 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.33 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.11 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.22 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HB3' HH21 ' A' ' 38' ' ' ARG . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.11 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.04 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.41 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.44 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 65.11 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 63.25 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.44 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.51 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 62.11 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.23 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.35 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.33 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.05 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 73.03 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 51.13 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 60.14 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.989 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.34 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.12 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.52 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 52.34 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.859 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.52 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 64.34 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 54.13 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.14 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 71.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' CD1' HBB2 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 71.15 109.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.21 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 64.01 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 62.33 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.53 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 73.42 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.44 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.51 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.3 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.13 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.546 ' HG1' ' CGD' ' A' ' 500' ' ' HEC . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.54 110.42 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.45 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.417 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.2 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 81' ' ' ILE . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.32 109.347 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.01 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 54.11 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 70.24 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 62.43 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.04 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.32 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.35 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.43 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.1 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 72.51 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 44.1 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.21 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 74.05 109.277 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.13 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 53.11 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 73.34 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.989 HD21 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.33 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.11 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.41 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.54 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.34 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 72.3 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 64.02 110.258 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.12 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.02 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 97' ' ' TYR . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 72.34 109.374 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.22 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.34 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 73.13 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.23 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.23 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.43 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.073 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.11 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 64.23 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.43 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE3' HG23 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.54 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.31 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 53.25 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.14 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.52 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CE1' HD21 ' A' ' 32' ' ' LEU . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 64.43 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.3 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.45 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.14 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 72.53 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 72.44 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.04 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.1 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HMD3 ' A' ' 500' ' ' HEC . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.51 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.54 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.54 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.1 t30 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.13 109.286 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 18' ' ' HIS . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.04 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.15 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 44.34 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.872 HD11 HMA3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 52.04 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 73.41 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.03 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 72.11 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.866 ' HE2' HD11 ' A' ' 58' ' ' ILE . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 74.33 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' NE1' ' A' ' 59' ' ' TRP . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.11 110.293 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.22 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.11 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.777 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.04 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.41 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.44 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 65.11 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 63.25 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.44 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.51 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.11 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.23 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.35 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.05 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 73.03 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 51.13 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.866 HD11 ' HE2' ' A' ' 39' ' ' LYS . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 60.14 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.34 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.991 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.12 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.52 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 52.34 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.501 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.52 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.34 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.493 ' HA ' HH21 ' A' ' 91' ' ' ARG . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 54.13 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.14 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.14 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.771 HD13 HMB2 ' A' ' 500' ' ' HEC . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 71.15 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.21 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 64.01 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 62.33 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.53 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.42 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.44 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 78' ' ' THR . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.51 109.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.3 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.13 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.54 110.416 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.45 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.514 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.2 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 72.32 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.01 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 54.11 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 70.24 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' ILE . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 62.43 109.372 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.04 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.32 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 62.35 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.43 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.1 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.966 ' NH2' HD11 ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 72.51 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 44.1 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.21 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.05 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.966 HD11 ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.13 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 53.11 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.34 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.073 HD21 ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.33 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' CD ' HG22 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.11 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.41 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.54 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.34 110.398 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.3 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 64.02 110.354 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.872 HMA3 HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.12 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.02 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 72.34 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.22 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.34 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.916 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 73.13 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.23 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.23 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.916 HD12 ' HA2' ' A' ' 6' ' ' GLY . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.43 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.884 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.11 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 64.23 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.43 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 61.54 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.31 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 53.25 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.14 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.52 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.43 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.3 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.45 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.13 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.14 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 72.53 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 72.44 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.04 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.497 ' O ' HMD3 ' A' ' 500' ' ' HEC . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.51 110.374 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.54 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.54 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.13 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.04 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.15 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 44.34 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD12 ' HD3' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 52.04 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.87 ' CE2' HD12 ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.41 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.03 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HD3' HD12 ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 72.11 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 74.33 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.913 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.11 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.22 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HH21 ' A' ' 38' ' ' ARG . 12.3 mm100 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.11 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.04 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.41 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.44 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 65.11 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 63.25 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.44 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.726 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.51 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 62.11 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.23 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.35 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.05 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 73.03 110.995 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 51.13 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.814 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 60.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.913 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.34 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.12 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.52 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 52.34 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.814 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.52 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.87 HD12 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 64.34 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 54.13 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.14 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 71.14 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.826 HD12 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 71.15 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.21 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 64.01 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 62.33 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.53 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.42 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.44 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.772 ' O ' HG22 ' A' ' 78' ' ' THR . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.51 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.3 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.13 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.54 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.726 ' NZ ' HG23 ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.45 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.504 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.2 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 72.32 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.01 111.029 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 54.11 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 70.24 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 62.43 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.04 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.32 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 62.35 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.43 110.319 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.1 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 95' ' ' ILE . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.51 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 44.1 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.21 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 9' ' ' ILE . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.05 109.3 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' ARG . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.13 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 53.11 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 73.34 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.33 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.11 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 72.41 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.54 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.34 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 72.3 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 64.02 110.31 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.799 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.12 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.02 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 97' ' ' TYR . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.34 109.337 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.22 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.34 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 73.13 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.23 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.23 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.43 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.11 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 64.23 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.43 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 61.54 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.31 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 53.25 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.14 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.52 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 64.43 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.3 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.45 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HB2' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.13 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.14 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 72.53 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 72.44 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.04 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.1 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.51 110.37 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.54 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.54 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.13 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.04 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.15 109.613 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 44.34 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 59' ' ' TRP . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 52.04 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.732 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 73.41 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.03 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 42' ' ' GLN . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 72.11 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 74.33 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.11 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.22 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HB3' HH21 ' A' ' 38' ' ' ARG . 5.0 mm100 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.11 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.04 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.41 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.44 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 65.11 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 63.25 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.846 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.44 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 HG23 HBD2 ' A' ' 500' ' ' HEC . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.51 110.392 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 62.11 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.23 109.26 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.35 109.344 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.33 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.05 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 73.03 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 51.13 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 60.14 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 40' ' ' THR . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.34 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.12 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.52 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 52.34 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 57' ' ' ILE . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.52 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.34 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.13 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.14 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.14 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD21 HMB2 ' A' ' 500' ' ' HEC . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.15 109.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.21 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 64.01 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 62.33 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.53 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.42 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.44 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' ALA . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.51 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.3 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.13 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.54 110.376 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.537 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.45 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.2 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 72.32 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.01 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 54.11 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 70.24 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 62.43 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.04 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.32 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 62.35 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.43 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.1 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 72.51 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 44.1 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.21 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 9' ' ' ILE . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 74.05 109.282 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 98' ' ' LEU . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.13 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 53.11 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.624 ' OH ' HG21 ' A' ' 20' ' ' VAL . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 73.34 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.33 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.11 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.41 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.54 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.34 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.3 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 64.02 110.339 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.12 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.02 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 97' ' ' TYR . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.22 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.34 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.842 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 73.13 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.23 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.23 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.842 HD12 ' HA2' ' A' ' 6' ' ' GLY . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.43 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.11 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 64.23 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.43 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 61.54 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.31 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 53.25 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 65.7 mm-40 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.14 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.52 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.713 ' O ' HG23 ' A' ' 19' ' ' THR . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 64.43 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.889 HG13 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.3 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.45 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.13 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.14 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 72.53 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.44 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.04 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.1 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.529 ' O ' HMD3 ' A' ' 500' ' ' HEC . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.51 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.54 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.54 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.13 109.245 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.04 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.421 ' HB2' ' N ' ' A' ' 21' ' ' GLU . 6.2 t60 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.15 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 44.34 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 52.04 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 73.41 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.03 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.552 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 72.11 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.33 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.854 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.11 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.22 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' HH21 ' A' ' 38' ' ' ARG . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.11 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.04 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.41 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.44 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 65.11 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 63.25 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.852 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.44 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.501 HG22 ' NZ ' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.51 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 62.11 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.23 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.35 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.33 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.05 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 73.03 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 51.13 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.603 ' O ' HG21 ' A' ' 63' ' ' THR . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 60.14 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.854 ' NE1' HG22 ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.34 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.12 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.52 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 52.34 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.603 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.52 110.376 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 60' ' ' GLY . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 64.34 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 54.13 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.74 ' CE1' HD12 ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 71.14 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 71.15 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.21 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 64.01 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' O ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 62.33 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.53 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 73.42 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.44 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.51 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.3 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.13 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 71' ' ' PRO . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.54 110.373 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.549 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.45 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.489 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.2 111.042 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 72.32 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.01 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.11 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 70.24 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 62.43 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.04 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.32 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 62.35 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.43 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.1 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 72.51 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 44.1 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.21 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.484 HD23 ' CBB' ' A' ' 500' ' ' HEC . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 74.05 109.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.13 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 53.11 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 73.34 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 102' ' ' THR . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.33 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.594 ' HD3' HG22 ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.11 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.41 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.54 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.34 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 72.3 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 64.02 110.256 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.791 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.12 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.02 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 72.34 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.22 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.34 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.932 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 73.13 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.23 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.23 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.932 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.43 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.933 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.11 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 64.23 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 11' ' ' ILE . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.43 111.017 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 61.54 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.31 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 53.25 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.14 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.52 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 19' ' ' THR . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 64.43 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG13 ' CE1' ' A' ' 10' ' ' PHE . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.3 109.325 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.45 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.13 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.14 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 72.53 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.44 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.04 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.1 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.51 110.373 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' HA2' HMD3 ' A' ' 500' ' ' HEC . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.54 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.54 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.13 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.04 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.15 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 44.34 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.974 HD21 HMA3 ' A' ' 500' ' ' HEC . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 52.04 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 73.41 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.03 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HE ' HD12 ' A' ' 35' ' ' LEU . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 72.11 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 74.33 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.83 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.11 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.22 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.11 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.04 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.41 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.44 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 65.11 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 63.25 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.44 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.807 HG23 ' HD2' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.51 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 62.11 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.23 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.35 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.33 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.05 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 73.03 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' THR . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 51.13 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 60.14 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.83 ' NE1' HG22 ' A' ' 40' ' ' THR . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.34 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.12 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.52 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 52.34 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.52 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 64.34 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 54.13 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.14 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.14 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 71.15 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.21 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 64.01 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 62.33 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.53 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 73.42 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.51 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.3 111.015 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.13 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.417 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.54 110.38 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.807 ' HD2' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.45 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.448 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.2 111.004 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 72.32 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.01 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 54.11 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 70.24 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 62.43 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.04 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.32 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.35 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.43 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.1 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.51 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 44.1 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.21 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CBB' ' A' ' 500' ' ' HEC . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 74.05 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.13 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 53.11 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 73.34 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.33 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.11 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.41 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.54 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.87 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.34 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 72.3 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 64.02 110.313 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.974 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.12 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.02 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 72.34 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.22 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.34 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 1.007 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 73.13 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.23 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.23 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.007 HD12 ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.43 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.91 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.11 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 64.23 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.43 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 61.54 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.31 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 53.25 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.14 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.52 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 64.43 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.3 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.45 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.13 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.14 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 72.53 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 72.44 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.04 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.1 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' HMD3 ' A' ' 500' ' ' HEC . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.51 110.358 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.54 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.54 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.402 ' C ' HD23 ' A' ' 32' ' ' LEU . 10.9 t30 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.13 109.285 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.04 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 2.9 t-160 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.15 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 44.34 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 59' ' ' TRP . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 52.04 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.41 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.03 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.733 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 72.11 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.33 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.11 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.22 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.733 ' HB3' HH21 ' A' ' 38' ' ' ARG . 11.1 mm100 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.11 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.826 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.04 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.41 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.44 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 65.11 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 63.25 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.826 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.51 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 62.11 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.23 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.35 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 73.03 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.95 HD13 HG21 ' A' ' 63' ' ' THR . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 51.13 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 60.14 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.8 ' NE1' HG22 ' A' ' 40' ' ' THR . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.34 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.12 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.52 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 52.34 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.95 HG21 HD13 ' A' ' 57' ' ' ILE . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.52 110.413 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 64.34 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.909 ' CG ' HH21 ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 54.13 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.14 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.14 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 71.15 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.21 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.01 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 62.33 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.53 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 73.42 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.44 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.51 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.3 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.13 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.54 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.45 109.292 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.468 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.2 111.011 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 72.32 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.01 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 54.11 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 70.24 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 62.43 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.04 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.32 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.35 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.43 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.611 ' HB3' HG21 ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.1 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.909 HH21 ' CG ' ' A' ' 65' ' ' MET . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 72.51 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 44.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.21 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 74.05 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.13 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 53.11 109.259 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 73.34 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 10' ' ' PHE . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.33 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.11 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 72.41 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.54 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.34 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.3 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 64.02 110.303 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.804 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.12 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.02 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 72.34 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.22 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.34 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 73.13 110.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.23 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.23 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.43 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.13 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.11 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG22 ' HG3' ' A' ' 12' ' ' MET . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 64.23 109.296 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.43 110.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 61.54 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.31 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 53.25 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.14 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.52 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 64.43 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.3 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.45 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.13 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.14 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 72.53 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 72.44 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.04 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.1 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' HMD3 ' A' ' 500' ' ' HEC . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.51 110.398 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.54 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.54 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.648 ' O ' HD23 ' A' ' 32' ' ' LEU . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.13 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 31' ' ' ASN . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.04 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.15 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 44.34 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 52.04 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLY . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 73.41 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.03 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 72.11 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.796 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 74.33 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.74 HG22 ' NE1' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.11 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.22 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 14.9 mm100 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.11 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.04 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.41 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.44 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 65.11 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 63.25 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.44 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.758 HG23 ' O1D' ' A' ' 500' ' ' HEC . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.51 110.404 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 62.11 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.23 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.35 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.33 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.05 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' HD13 ' A' ' 75' ' ' ILE . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 73.03 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 51.13 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.796 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 60.14 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.74 ' NE1' HG22 ' A' ' 40' ' ' THR . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.34 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.12 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.52 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 52.34 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 58' ' ' ILE . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.52 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 64.34 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.827 ' HG2' HH21 ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 54.13 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.14 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 71.14 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.894 HD13 ' HB2' ' A' ' 91' ' ' ARG . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 71.15 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.21 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 64.01 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 62.33 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.53 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 73.42 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.44 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.495 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.51 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.3 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.13 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.495 ' HB ' HG22 ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.54 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 49' ' ' THR . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.45 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.492 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.2 111.028 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 72.32 109.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.01 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.11 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 70.24 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 90' ' ' GLU . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 62.43 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.04 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.32 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 62.35 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.43 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HB3' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.1 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.894 ' HB2' HD13 ' A' ' 68' ' ' LEU . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 72.51 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 44.1 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.21 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' HD1' ' A' ' 10' ' ' PHE . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 74.05 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG22 ' CE ' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.13 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 53.11 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 73.34 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.13 HD21 ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.33 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.557 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.11 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 72.41 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.54 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.34 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 72.3 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 64.02 110.339 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.795 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.12 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.02 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 72.34 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.22 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.34 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.963 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 73.13 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.23 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.23 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.963 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.43 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE1' HG13 ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.11 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 64.23 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.43 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 61.54 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.31 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 53.25 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.14 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.52 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CE1' HD21 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.43 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.055 HG13 ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.3 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.45 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.13 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.14 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 72.53 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.651 ' HZ3' ' HE2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 72.44 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.04 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE2' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.1 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HMD3 ' A' ' 500' ' ' HEC . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.51 110.401 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.54 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.54 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.13 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.04 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' LYS . 7.7 t60 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.15 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 44.34 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 32' ' ' LEU . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 52.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.41 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.03 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 72.11 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 74.33 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.741 HG22 ' NE1' ' A' ' 59' ' ' TRP . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.11 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.22 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.11 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.04 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.41 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.44 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 65.11 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 63.25 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.44 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.51 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 62.11 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.23 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.35 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.33 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.05 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 73.03 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 51.13 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 60.14 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.741 ' NE1' HG22 ' A' ' 40' ' ' THR . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.34 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.12 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.879 ' HB3' HG21 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.52 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 52.34 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.52 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' CMA' ' A' ' 500' ' ' HEC . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 64.34 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.466 ' HE1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 54.13 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.14 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 71.14 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD21 HMB2 ' A' ' 500' ' ' HEC . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 71.15 109.353 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.21 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 2.2 t-20 -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.01 109.274 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 62.33 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.53 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.42 109.245 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.44 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 78' ' ' THR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.51 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.3 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.13 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.842 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.54 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.45 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.419 ' HG3' ' NC ' ' A' ' 500' ' ' HEC . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.2 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 81' ' ' ILE . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.32 109.22 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.01 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 54.11 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 70.24 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 62.43 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.04 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.32 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HG2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 62.35 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.43 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.1 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 72.51 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 44.1 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.21 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HBB3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.05 109.295 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.13 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 53.11 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.34 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.33 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.11 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 72.41 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.54 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.34 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 72.3 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 64.02 110.325 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.12 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.02 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 97' ' ' TYR . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 72.34 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.22 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.34 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.919 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 73.13 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.23 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.23 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.919 HD12 ' HA2' ' A' ' 6' ' ' GLY . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.43 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.11 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.23 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.43 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 61.54 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.31 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 53.25 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.14 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.52 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.726 ' CE1' HD21 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.43 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' C ' ' A' ' 18' ' ' HIS . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.3 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.45 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.13 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.14 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 72.53 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 72.44 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.04 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.1 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.45 ' O ' HMD3 ' A' ' 500' ' ' HEC . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.51 110.416 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.54 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.54 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.6 t30 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.13 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.04 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.15 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 44.34 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 52.04 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.76 ' CZ ' HD12 ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 73.41 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.03 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 72.11 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 74.33 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.568 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.11 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.22 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.847 ' HB3' HH21 ' A' ' 38' ' ' ARG . 14.7 mm100 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.11 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.04 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.41 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.44 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 65.11 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 63.25 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.636 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.44 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.529 HG21 ' HG2' ' A' ' 79' ' ' LYS . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.51 110.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 62.11 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.756 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.23 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.636 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 12.1 t-20 -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.35 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.33 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.05 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 73.03 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 51.13 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 60.14 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.34 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.12 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.52 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 52.34 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.52 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 64.34 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 54.13 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.14 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.14 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 91' ' ' ARG . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 71.15 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.21 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 64.01 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 62.33 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.53 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.42 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.44 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.756 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.51 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.3 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.13 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.54 110.47 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.599 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.45 109.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.2 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' ILE . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 72.32 109.339 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.01 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 54.11 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 70.24 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 87' ' ' LYS . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 62.43 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.04 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 85' ' ' ILE . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.32 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 62.35 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.43 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.1 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 72.51 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 44.1 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.21 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 6' ' ' GLY . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.05 109.277 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.13 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 53.11 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.34 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.33 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.11 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.41 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.54 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.34 110.404 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 72.3 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 64.02 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.787 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.12 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.02 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' TYR . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.34 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.22 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.34 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 73.13 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.23 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.23 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.43 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.11 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 12' ' ' MET . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 64.23 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.53 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.43 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 61.54 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.31 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 53.25 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' CMC' ' A' ' 500' ' ' HEC . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.14 110.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.52 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.43 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.3 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.45 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.13 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.14 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 72.53 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 72.44 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.04 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.1 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' HMD3 ' A' ' 500' ' ' HEC . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.51 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.54 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.54 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.714 ' O ' HD23 ' A' ' 32' ' ' LEU . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.13 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 31' ' ' ASN . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.04 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 12.5 t60 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.15 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 44.34 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.131 HD21 HMA3 ' A' ' 500' ' ' HEC . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 52.04 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.41 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.03 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 72.11 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 74.33 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.579 HG22 ' CE2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.11 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.22 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.11 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.04 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.41 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.44 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 65.11 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 63.25 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.44 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.705 HG23 ' O1D' ' A' ' 500' ' ' HEC . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.51 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 62.11 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.23 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.35 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.33 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.05 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' A' ' 75' ' ' ILE . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 73.03 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 51.13 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.815 ' O ' HG21 ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 60.14 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE2' HG22 ' A' ' 40' ' ' THR . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.34 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.12 111.016 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.52 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 52.34 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.52 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 60' ' ' GLY . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 64.34 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 54.13 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.14 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 71.14 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD13 HBB2 ' A' ' 500' ' ' HEC . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.15 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.21 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 64.01 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 62.33 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.53 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 73.42 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.44 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.51 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.3 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.13 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.54 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' HE2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.45 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.2 110.957 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 72.32 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.01 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 54.11 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 70.24 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.43 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.04 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.32 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.35 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.43 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.1 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.51 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 44.1 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.21 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 6' ' ' GLY . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 74.05 109.332 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.13 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 53.11 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.34 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.97 HD21 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.33 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.11 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' VAL . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 72.41 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.54 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.34 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 72.3 109.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 64.02 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 1.131 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.12 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.02 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 97' ' ' TYR . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 72.34 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.22 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.34 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 73.13 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.23 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.23 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 13' ' ' LYS . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.43 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.198 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.11 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 64.23 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.43 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.731 ' O ' HMC3 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 61.54 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.31 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 53.25 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.14 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.52 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 64.43 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.3 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.45 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.13 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.14 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 72.53 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 72.44 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.04 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.1 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' HMD3 ' A' ' 500' ' ' HEC . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.51 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.54 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.54 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.0 t30 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.13 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.04 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 3.8 t-160 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.15 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 44.34 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.894 HD11 HMA3 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 52.04 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 73.41 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.03 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 72.11 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.013 HG22 ' NE1' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.11 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.22 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.11 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.04 109.274 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.41 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.44 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.11 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 63.25 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.44 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.614 HG23 ' O1D' ' A' ' 500' ' ' HEC . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.51 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 62.11 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.23 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.35 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.33 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.05 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 73.03 111.003 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.739 HD13 ' CG2' ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 51.13 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.805 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 60.14 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.34 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.12 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.52 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 52.34 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.52 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 64.34 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 54.13 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.14 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' HD12 ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 71.14 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 71.15 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.21 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.01 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 62.33 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.53 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 73.42 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.44 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.797 ' O ' HG22 ' A' ' 78' ' ' THR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.51 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.583 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.3 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.13 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.54 110.454 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HG2' HMD2 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.45 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.484 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.2 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 72.32 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.01 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 54.11 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 70.24 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 62.43 109.291 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.04 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.32 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 62.35 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.43 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' CG ' HG21 ' A' ' 85' ' ' ILE . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.1 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 72.51 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 44.1 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.21 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.05 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.13 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.11 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.781 ' HA ' HG13 ' A' ' 3' ' ' VAL . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 73.34 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.198 HD21 ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.33 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.11 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG3' HG21 ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 72.41 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.54 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.34 110.474 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 72.3 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 64.02 110.352 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.894 HMA3 HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.12 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.02 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 72.34 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.22 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.34 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.684 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 73.13 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 11' ' ' ILE . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.23 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 11' ' ' ILE . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.23 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.684 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.43 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.11 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 8' ' ' LYS . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 64.23 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.43 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 61.54 109.303 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.31 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 53.25 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 17.4 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.14 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.52 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.43 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.892 HG21 ' HB1' ' A' ' 101' ' ' ALA . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.3 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.45 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.13 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.14 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 72.53 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 72.44 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 46' ' ' TYR . 22.7 m170 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.04 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.1 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' HMD3 ' A' ' 500' ' ' HEC . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 110.396 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.54 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.54 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.13 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 35' ' ' LEU . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.04 109.241 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 19.7 t60 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.15 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 44.34 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 52.04 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.41 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.03 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 72.11 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 74.33 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' NE1' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.11 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.735 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.22 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.11 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.603 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.04 109.275 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.41 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.44 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.612 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 65.11 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.25 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.44 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.538 HG23 HBD2 ' A' ' 500' ' ' HEC . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.51 110.426 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.11 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.23 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.35 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.33 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.05 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 73.03 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.654 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 51.13 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 60.14 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.698 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.34 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.12 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.52 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 52.34 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.52 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 64.34 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' HH21 ' A' ' 91' ' ' ARG . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 54.13 111.018 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.14 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 68' ' ' LEU . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.14 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD21 HMB2 ' A' ' 500' ' ' HEC . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.15 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.21 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 64.01 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 62.33 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.53 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 73.42 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.44 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.898 ' O ' HG22 ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.51 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.3 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.13 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.54 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.45 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.42 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.2 111.056 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 72.32 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.01 110.997 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 54.11 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 70.24 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 62.43 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.04 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.32 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 62.35 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.43 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.1 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.814 HH21 ' HG2' ' A' ' 65' ' ' MET . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.51 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 44.1 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.21 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 74.05 109.356 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.13 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.11 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.34 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.33 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.11 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 72.41 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.892 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.54 109.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.03 HG22 ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.34 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.3 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.02 110.356 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.795 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.12 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.02 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.34 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.22 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.34 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.744 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 73.13 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HG2' HD11 ' A' ' 11' ' ' ILE . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.23 109.256 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.23 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.744 HD12 ' HA2' ' A' ' 6' ' ' GLY . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.43 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.995 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.11 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.62 HG22 ' HG3' ' A' ' 12' ' ' MET . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 64.23 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.62 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.43 110.969 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.54 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.31 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 53.25 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.14 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.52 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 64.43 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.3 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.45 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.13 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.14 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 72.53 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 72.44 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.04 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.1 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' HMD3 ' A' ' 500' ' ' HEC . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.51 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.54 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.54 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.13 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 35' ' ' LEU . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.04 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.15 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 44.34 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.997 HD21 HMA3 ' A' ' 500' ' ' HEC . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 52.04 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE2' HD12 ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 73.41 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.03 110.949 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' NE ' HD12 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 72.11 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 74.33 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.932 HG22 ' NE1' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.11 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.22 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.11 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.04 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.41 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.44 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 65.11 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 63.25 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.44 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.51 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 62.11 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.23 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.35 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.33 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.05 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 73.03 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.516 HD11 ' CH2' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 51.13 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 60.14 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.932 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.34 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.12 110.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HG3' ' HZ1' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.52 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 52.34 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.52 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD12 ' CE2' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 64.34 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 54.13 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.14 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 75' ' ' ILE . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 71.14 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' CD2' HMB2 ' A' ' 500' ' ' HEC . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 71.15 109.28 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.21 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 64.01 109.377 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 62.33 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.53 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 73.42 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.44 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 78' ' ' THR . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.51 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.3 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.13 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.54 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.575 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.45 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.5 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.2 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.32 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.01 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 54.11 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 70.24 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 62.43 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.04 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.32 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 62.35 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.43 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.531 ' OE1' HD13 ' A' ' 9' ' ' ILE . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.1 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.51 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 44.1 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.21 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 74.05 109.281 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.13 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 53.11 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.34 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.995 HD21 ' CE1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.33 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.11 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.41 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.54 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.34 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 72.3 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 64.02 110.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.997 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.12 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.02 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG11 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.34 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.22 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.34 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 73.13 111.02 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.23 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.23 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 6' ' ' GLY . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.43 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.182 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.11 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 64.23 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.43 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 61.54 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.31 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 53.25 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.14 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.52 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.71 ' O ' HG23 ' A' ' 19' ' ' THR . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 64.43 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.3 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.45 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.13 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.14 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 72.53 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 72.44 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.04 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.1 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.51 110.38 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.54 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.54 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.634 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.13 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 31' ' ' ASN . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.04 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.15 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 44.34 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 52.04 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 73.41 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.03 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 72.11 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 74.33 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.017 HG22 ' NE1' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.11 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.22 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.11 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.04 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.41 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.44 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 65.11 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 63.25 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.44 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.51 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 62.11 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.23 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.35 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.33 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.05 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 73.03 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 51.13 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.993 ' O ' HG21 ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 60.14 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.017 ' NE1' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.34 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.857 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.12 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.52 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 52.34 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.993 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.52 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 64.34 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 54.13 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.14 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 71.14 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 71.15 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.21 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 64.01 109.295 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 62.33 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.53 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.42 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.44 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.51 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.3 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.13 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.54 110.437 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.536 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.45 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.2 111.021 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 72.32 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.01 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 54.11 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 70.24 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.517 HD12 ' HG3' ' A' ' 91' ' ' ARG . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 62.43 109.363 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.04 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.32 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 62.35 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.43 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.1 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.51 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 44.1 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.21 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.05 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 64' ' ' LEU . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.13 109.333 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.11 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' A' ' 20' ' ' VAL . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 73.34 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.182 HD21 ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.33 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.11 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.709 ' CB ' HG11 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.41 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.54 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.34 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.3 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 64.02 110.292 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.782 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.12 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.02 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 72.34 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.22 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.34 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.981 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 73.13 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HE3' HD11 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.23 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.929 ' HA ' HD12 ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.23 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.981 HD12 ' HA2' ' A' ' 6' ' ' GLY . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.43 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.12 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.11 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 64.23 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.43 110.918 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 61.54 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.31 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 53.25 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.14 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.52 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.702 ' O ' HG23 ' A' ' 19' ' ' THR . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 64.43 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.3 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.45 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.13 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.14 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 72.53 110.942 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 72.44 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.04 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.1 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' HMD3 ' A' ' 500' ' ' HEC . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.51 110.395 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.54 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.54 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.13 109.305 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.04 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.15 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 44.34 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.984 HD21 HMA3 ' A' ' 500' ' ' HEC . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 52.04 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 73.41 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.03 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.641 ' HD2' HD12 ' A' ' 35' ' ' LEU . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 72.11 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 74.33 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.785 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.11 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.22 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.11 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.04 109.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.41 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.44 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 65.11 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 63.25 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.44 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.602 HG23 ' O1D' ' A' ' 500' ' ' HEC . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.51 110.373 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 62.11 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.23 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.35 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.33 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.05 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 73.03 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 51.13 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 60.14 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.785 ' NE1' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.34 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.12 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.52 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 52.34 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.52 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 60' ' ' GLY . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 64.34 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 54.13 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.14 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 71.14 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD22 HBB2 ' A' ' 500' ' ' HEC . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 71.15 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.21 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 64.01 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 62.33 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.53 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 73.42 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.44 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.51 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.553 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.3 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.13 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 75' ' ' ILE . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.54 110.468 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.6 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.45 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.2 111.011 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.32 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.01 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 54.11 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 70.24 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 62.43 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.04 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.32 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 62.35 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.1 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.51 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 44.1 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.21 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.05 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.13 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 53.11 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.34 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.12 HD21 ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.33 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.11 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 72.41 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.54 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.34 110.382 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 72.3 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 64.02 110.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.984 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.12 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.02 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 72.34 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.22 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.34 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 73.13 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 11' ' ' ILE . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.23 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.23 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.43 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.086 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.11 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.656 HD11 ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 64.23 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 11' ' ' ILE . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.43 111.034 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 61.54 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.31 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 53.25 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.14 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.52 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.43 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.3 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.45 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.13 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.14 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 72.53 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 72.44 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.04 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.1 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HMD3 ' A' ' 500' ' ' HEC . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.51 110.344 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.54 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.54 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.13 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.04 109.28 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 22' ' ' LYS . 6.2 t60 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.15 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 44.34 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD21 ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 52.04 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 73.41 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.03 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 72.11 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.33 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.061 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.11 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.22 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ALA . 39.3 tp60 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.11 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.04 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.41 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.44 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 65.11 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.25 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.44 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.51 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 62.11 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.23 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.35 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.33 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.05 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 73.03 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.782 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 51.13 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG21 ' A' ' 63' ' ' THR . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 60.14 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.061 ' NE1' HG22 ' A' ' 40' ' ' THR . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.34 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.12 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.52 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 52.34 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 58' ' ' ILE . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.52 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 64.34 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 54.13 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.14 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.14 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 95' ' ' ILE . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 71.15 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.21 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 64.01 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 62.33 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.53 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 73.42 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.44 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.51 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.3 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.13 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.54 110.436 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.45 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.508 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.2 111.048 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.32 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CZ ' HBB2 ' A' ' 500' ' ' HEC . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.01 110.952 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 54.11 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 70.24 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 62.43 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.04 109.245 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.32 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.35 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.43 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CG ' HG21 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.1 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 72.51 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 44.1 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.21 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 74.05 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 HD12 ' A' ' 68' ' ' LEU . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.13 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 53.11 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 73.34 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.086 HD21 ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.33 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.11 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.41 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.54 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.34 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.3 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 64.02 110.307 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.794 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.12 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.02 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 72.34 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.22 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.34 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 73.13 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.23 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.23 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.703 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.43 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.067 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.11 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 64.23 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.43 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 61.54 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.31 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.25 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.14 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.52 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 19' ' ' THR . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.43 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.3 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.45 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.13 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.14 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 72.53 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 72.44 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.04 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.1 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' HMD3 ' A' ' 500' ' ' HEC . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.51 110.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.54 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.54 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.13 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 35' ' ' LEU . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.04 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.15 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 44.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.057 HD21 HMA3 ' A' ' 500' ' ' HEC . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 52.04 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 73.41 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.03 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 72.11 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.33 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.009 HG22 ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.11 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.22 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.11 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.04 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.41 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.44 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 65.11 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.25 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.44 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HBD2 ' A' ' 500' ' ' HEC . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.51 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 62.11 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.23 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.35 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.33 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.05 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 73.03 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' THR . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 51.13 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 60.14 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.009 ' NE1' HG22 ' A' ' 40' ' ' THR . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.34 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.717 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.12 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.553 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.52 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 52.34 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.988 HG21 HD13 ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.52 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 64.34 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 54.13 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.14 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 71.14 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 71.15 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.21 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.01 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 62.33 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.53 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 73.42 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.44 111.014 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HH2' ' A' ' 59' ' ' TRP . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.51 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.3 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.13 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 75' ' ' ILE . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.54 110.453 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.601 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.45 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.497 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.2 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 81' ' ' ILE . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.32 109.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.01 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 54.11 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 70.24 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.688 HG21 ' H ' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 62.43 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.04 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.554 ' O ' HG22 ' A' ' 85' ' ' ILE . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.32 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 62.35 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.43 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.1 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' HG21 ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 72.51 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 44.1 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.21 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.51 HD13 ' HB ' ' A' ' 9' ' ' ILE . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.05 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.772 ' CG2' ' HZ2' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.13 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 53.11 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 73.34 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.33 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.772 ' HZ2' ' CG2' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.11 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 72.41 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.54 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.34 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 72.3 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 64.02 110.26 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 1.057 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.120000000000005 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.019999999999996 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 100' ' ' LYS . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.869 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HG2' HD11 ' A' ' 11' ' ' ILE . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.230000000000004 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.869 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.03 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' HG2' ' A' ' 7' ' ' LYS . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 64.230000000000004 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 61.539999999999999 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 53.25 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.140000000000001 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.520000000000003 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 19' ' ' THR . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 64.430000000000007 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.450000000000003 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.129999999999995 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.140000000000001 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 72.530000000000001 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 72.439999999999998 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.040000000000006 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.436 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.040000000000006 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 44.340000000000003 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 52.039999999999999 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.030000000000001 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 72.109999999999999 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.98 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.219999999999999 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.109999999999999 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.039999999999999 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.409999999999997 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 65.109999999999999 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 63.25 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 110.422 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 62.109999999999999 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.230000000000004 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.349999999999994 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.049999999999997 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.598 HD11 ' CH2' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 51.130000000000003 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' HG21 ' A' ' 63' ' ' THR . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 60.140000000000001 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.98 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.727 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.120000000000005 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 52.340000000000003 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.705 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.519999999999996 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 54.130000000000003 110.992 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' HD23 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 71.140000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 67' ' ' TYR . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 64.010000000000005 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 62.329999999999998 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.420000000000002 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.656 HD13 ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.299999999999997 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 110.975 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 54.109999999999999 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.547 ' N ' HG13 ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 70.239999999999995 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 62.43 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.479 ' HZ3' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.430000000000007 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' HZ3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.099999999999994 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 85' ' ' ILE . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 44.100000000000001 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.210000000000001 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 ' HD1' ' A' ' 10' ' ' PHE . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.049999999999997 109.283 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 53.109999999999999 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.03 HD21 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.109999999999999 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 3' ' ' VAL . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.409999999999997 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.540000000000006 109.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 110.423 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 64.019999999999996 110.256 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.120000000000005 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.019999999999996 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 72.340000000000003 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.996 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 73.129999999999995 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.564 ' CG ' HD11 ' A' ' 11' ' ' ILE . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.230000000000004 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.230000000000004 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.996 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.430000000000007 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.849 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 64.230000000000004 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 61.539999999999999 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.310000000000002 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 53.25 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.140000000000001 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 64.430000000000007 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.140000000000001 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 72.530000000000001 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 72.439999999999998 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.040000000000006 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.395 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.540000000000006 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.540000000000006 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' CD2' HD22 ' A' ' 35' ' ' LEU . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.040000000000006 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 22' ' ' LYS . 43.6 t-80 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.150000000000006 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 44.340000000000003 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 32' ' ' LEU . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 52.039999999999999 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.030000000000001 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' CG ' HD12 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 72.109999999999999 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.819 HG22 ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.109999999999999 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 16.1 mm-40 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.109999999999999 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.039999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.409999999999997 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 65.109999999999999 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 63.25 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.808 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.510000000000005 110.461 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 62.109999999999999 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.349999999999994 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.329999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 73.030000000000001 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.665 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 51.130000000000003 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 60.140000000000001 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.819 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.742 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.519999999999996 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 52.340000000000003 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.519999999999996 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 64.340000000000003 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.557 ' HE3' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 54.130000000000003 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' A' ' 68' ' ' LEU . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 71.140000000000001 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HB2' HH21 ' A' ' 91' ' ' ARG . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 71.150000000000006 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 64.010000000000005 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 62.329999999999998 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.530000000000001 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.439999999999998 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.767 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.299999999999997 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.540000000000006 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.200000000000003 111.012 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 83' ' ' VAL . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.010000000000005 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 54.109999999999999 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 70.239999999999995 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 62.43 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.040000000000006 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 62.350000000000001 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.748 HH22 HD11 ' A' ' 95' ' ' ILE . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 72.510000000000005 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 44.100000000000001 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.210000000000001 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 HH22 ' A' ' 91' ' ' ARG . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.129999999999995 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 53.109999999999999 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.849 HD21 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.409999999999997 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.540000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 72.299999999999997 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 110.29 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.120000000000005 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.019999999999996 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.886 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 110.937 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.230000000000004 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.886 HD12 ' HA2' ' A' ' 6' ' ' GLY . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.989 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 64.230000000000004 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 61.539999999999999 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 53.25 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.140000000000001 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.520000000000003 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 19' ' ' THR . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.299999999999997 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.129999999999995 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.140000000000001 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 72.530000000000001 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 72.439999999999998 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.040000000000006 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.099999999999994 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 110.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.540000000000006 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD2' HD22 ' A' ' 35' ' ' LEU . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.040000000000006 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.7 t-80 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.150000000000006 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 44.340000000000003 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.857 HD12 ' HD3' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 52.039999999999999 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.030000000000001 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.857 ' HD3' HD12 ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 72.109999999999999 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HB3' HH21 ' A' ' 38' ' ' ARG . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.109999999999999 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.039999999999999 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.409999999999997 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.439999999999998 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 65.109999999999999 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 63.25 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.439999999999998 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 62.109999999999999 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.329999999999998 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.049999999999997 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 51.130000000000003 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 60.140000000000001 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.989 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 52.340000000000003 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.859 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 64.340000000000003 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 54.130000000000003 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.140000000000001 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 71.140000000000001 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 71.150000000000006 109.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 64.010000000000005 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 62.329999999999998 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.530000000000001 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 73.420000000000002 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.299999999999997 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.129999999999995 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.540000000000006 110.42 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.450000000000003 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.421 ' O ' HG22 ' A' ' 81' ' ' ILE . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.319999999999993 109.347 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 54.109999999999999 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 70.239999999999995 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 62.43 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.040000000000006 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.350000000000001 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.430000000000007 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 72.510000000000005 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 44.100000000000001 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.210000000000001 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 74.049999999999997 109.277 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.129999999999995 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 53.109999999999999 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 73.340000000000003 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.989 HD21 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.329999999999998 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.109999999999999 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.409999999999997 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 72.299999999999997 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 64.019999999999996 110.258 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 97' ' ' TYR . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 72.340000000000003 109.374 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.230000000000004 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.230000000000004 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.073 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 64.230000000000004 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.430000000000007 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE3' HG23 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.539999999999999 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 53.25 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.520000000000003 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CE1' HD21 ' A' ' 32' ' ' LEU . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.140000000000001 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 72.530000000000001 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 72.439999999999998 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.040000000000006 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.099999999999994 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.510000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.540000000000006 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' HD23 ' A' ' 32' ' ' LEU . 14.3 t-20 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.129999999999995 109.286 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 18' ' ' HIS . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.040000000000006 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.150000000000006 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 44.340000000000003 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 52.039999999999999 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 72.109999999999999 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.866 ' HE2' HD11 ' A' ' 58' ' ' ILE . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 74.329999999999998 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' NE1' ' A' ' 59' ' ' TRP . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.109999999999999 110.293 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.109999999999999 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.777 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.039999999999999 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.409999999999997 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 65.109999999999999 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 63.25 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.439999999999998 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.510000000000005 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.109999999999999 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.230000000000004 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.329999999999998 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 51.130000000000003 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.866 HD11 ' HE2' ' A' ' 39' ' ' LYS . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 60.140000000000001 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.991 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.120000000000005 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.519999999999996 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 52.340000000000003 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.501 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.519999999999996 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.493 ' HA ' HH21 ' A' ' 91' ' ' ARG . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 54.130000000000003 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.140000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD12 HH12 ' A' ' 91' ' ' ARG . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 71.150000000000006 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 64.010000000000005 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 62.329999999999998 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.420000000000002 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.439999999999998 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 78' ' ' THR . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.299999999999997 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.129999999999995 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.540000000000006 110.416 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.450000000000003 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 71' ' ' PRO . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.010000000000005 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 54.109999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 70.239999999999995 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 62.43 109.372 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.040000000000006 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.319999999999993 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 62.350000000000001 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.099999999999994 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.966 ' NH2' HD11 ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 72.510000000000005 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 44.100000000000001 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.049999999999997 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.966 HD11 ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.129999999999995 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 53.109999999999999 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.073 HD21 ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.329999999999998 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' CD ' HG22 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.109999999999999 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.409999999999997 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.340000000000003 110.398 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.299999999999997 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 64.019999999999996 110.354 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.120000000000005 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.019999999999996 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 72.340000000000003 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.219999999999999 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HB2' ' HZ2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.340000000000003 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.916 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.230000000000004 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.916 HD12 ' HA2' ' A' ' 6' ' ' GLY . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.884 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 61.539999999999999 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 53.25 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.140000000000001 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.520000000000003 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.430000000000007 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.299999999999997 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.140000000000001 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 72.530000000000001 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 72.439999999999998 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.040000000000006 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.099999999999994 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.374 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.540000000000006 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.040000000000006 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 44.340000000000003 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD12 ' HD3' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 52.039999999999999 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.87 ' CE2' HD12 ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.409999999999997 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HD3' HD12 ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 72.109999999999999 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 74.329999999999998 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.913 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.109999999999999 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HH21 ' A' ' 38' ' ' ARG . 28.4 mm-40 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.109999999999999 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.039999999999999 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.409999999999997 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 65.109999999999999 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 63.25 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.726 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.510000000000005 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 62.109999999999999 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.049999999999997 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 110.995 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 51.130000000000003 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.814 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 60.140000000000001 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.913 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.120000000000005 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 52.340000000000003 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.814 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.519999999999996 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.87 HD12 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 64.340000000000003 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 54.130000000000003 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.140000000000001 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 71.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.826 HD12 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 71.150000000000006 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 64.010000000000005 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 62.329999999999998 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.439999999999998 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.772 ' O ' HG22 ' A' ' 78' ' ' THR . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.299999999999997 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.129999999999995 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.540000000000006 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.726 ' NZ ' HG23 ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.450000000000003 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.432 ' HE2' ' CG ' ' A' ' 71' ' ' PRO . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.200000000000003 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 72.319999999999993 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.010000000000005 111.029 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 54.109999999999999 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 70.239999999999995 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 62.43 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.040000000000006 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.319999999999993 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 62.350000000000001 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 110.319 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.099999999999994 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 95' ' ' ILE . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.510000000000005 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 44.100000000000001 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.210000000000001 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 9' ' ' ILE . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.3 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' ARG . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.129999999999995 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 53.109999999999999 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 73.340000000000003 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 72.409999999999997 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 72.299999999999997 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 64.019999999999996 110.31 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.120000000000005 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.019999999999996 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 97' ' ' TYR . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.340000000000003 109.337 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.219999999999999 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.230000000000004 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.230000000000004 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.430000000000007 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 61.539999999999999 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.310000000000002 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 53.25 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.140000000000001 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 64.430000000000007 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.129999999999995 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 72.530000000000001 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 72.439999999999998 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.040000000000006 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.099999999999994 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.510000000000005 110.37 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.540000000000006 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.040000000000006 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 1.5 t-80 -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 109.613 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 59' ' ' TRP . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 52.039999999999999 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.732 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 73.409999999999997 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.030000000000001 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 42' ' ' GLN . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 72.109999999999999 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 74.329999999999998 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.109999999999999 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.219999999999999 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HB3' HH21 ' A' ' 38' ' ' ARG . 5.2 mm-40 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.039999999999999 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.409999999999997 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 65.109999999999999 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 63.25 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.846 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.510000000000005 110.392 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 62.109999999999999 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.26 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.344 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.049999999999997 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 73.030000000000001 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.758 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 51.130000000000003 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 60.140000000000001 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 40' ' ' THR . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.340000000000003 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.519999999999996 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 52.340000000000003 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 57' ' ' ILE . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.340000000000003 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.130000000000003 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.328 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 64.010000000000005 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 62.329999999999998 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' ALA . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.510000000000005 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.299999999999997 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.540000000000006 110.376 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.450000000000003 109.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.200000000000003 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.010000000000005 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 54.109999999999999 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 70.239999999999995 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 62.43 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.040000000000006 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.319999999999993 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 62.350000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.430000000000007 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.099999999999994 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 72.510000000000005 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 44.100000000000001 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.210000000000001 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 9' ' ' ILE . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 74.049999999999997 109.282 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 98' ' ' LEU . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.129999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 53.109999999999999 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.624 ' OH ' HG21 ' A' ' 20' ' ' VAL . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.329999999999998 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.109999999999999 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.540000000000006 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.299999999999997 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 64.019999999999996 110.339 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.120000000000005 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.019999999999996 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 97' ' ' TYR . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.340000000000003 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.842 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 73.129999999999995 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.230000000000004 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.842 HD12 ' HA2' ' A' ' 6' ' ' GLY . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.430000000000007 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 64.230000000000004 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 53.25 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 19.7 mm100 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.140000000000001 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.520000000000003 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.713 ' O ' HG23 ' A' ' 19' ' ' THR . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 64.430000000000007 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.889 HG13 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.140000000000001 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 72.530000000000001 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.439999999999998 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.040000000000006 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.540000000000006 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' THR . 6.4 t-20 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.040000000000006 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 102' ' ' THR . 4.0 t-80 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 44.340000000000003 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 52.039999999999999 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 73.409999999999997 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.552 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 72.109999999999999 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.854 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.109999999999999 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.219999999999999 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' HH21 ' A' ' 38' ' ' ARG . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.109999999999999 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.409999999999997 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 65.109999999999999 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 63.25 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.852 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.501 HG22 ' NZ ' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.510000000000005 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 62.109999999999999 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.329999999999998 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.049999999999997 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 73.030000000000001 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 51.130000000000003 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.603 ' O ' HG21 ' A' ' 63' ' ' THR . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 60.140000000000001 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.854 ' NE1' HG22 ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.519999999999996 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 52.340000000000003 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.603 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 110.376 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 60' ' ' GLY . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 54.130000000000003 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.74 ' CE1' HD12 ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 71.150000000000006 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' O ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 62.329999999999998 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 73.420000000000002 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.439999999999998 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.510000000000005 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.299999999999997 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.129999999999995 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 71' ' ' PRO . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.540000000000006 110.373 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.501 ' NZ ' HG22 ' A' ' 49' ' ' THR . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.200000000000003 111.042 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 72.319999999999993 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.019 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.109999999999999 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 70.239999999999995 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 62.43 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.040000000000006 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 62.350000000000001 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.430000000000007 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.099999999999994 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 72.510000000000005 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 44.100000000000001 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.210000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 53.109999999999999 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 73.340000000000003 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 102' ' ' THR . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.329999999999998 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.594 ' HD3' HG22 ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.109999999999999 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.409999999999997 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 72.299999999999997 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 64.019999999999996 110.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.120000000000005 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.019999999999996 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 72.340000000000003 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.219999999999999 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.932 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 73.129999999999995 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.230000000000004 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.932 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.933 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.109999999999999 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 64.230000000000004 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 11' ' ' ILE . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 111.017 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 61.539999999999999 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 53.25 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 19' ' ' THR . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG13 ' CE1' ' A' ' 10' ' ' PHE . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.299999999999997 109.325 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.129999999999995 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.140000000000001 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 72.530000000000001 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.439999999999998 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.099999999999994 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.510000000000005 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.540000000000006 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.540000000000006 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.040000000000006 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.150000000000006 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 44.340000000000003 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 59' ' ' TRP . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 52.039999999999999 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HE ' HD12 ' A' ' 35' ' ' LEU . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 72.109999999999999 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.83 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.109999999999999 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.219999999999999 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.109999999999999 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.039999999999999 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.409999999999997 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 65.109999999999999 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 63.25 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.439999999999998 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.807 HG23 ' HD2' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 62.109999999999999 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.349999999999994 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.329999999999998 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.049999999999997 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' THR . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 51.130000000000003 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 60.140000000000001 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.83 ' NE1' HG22 ' A' ' 40' ' ' THR . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.340000000000003 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.120000000000005 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.519999999999996 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 52.340000000000003 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.519999999999996 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 64.340000000000003 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 54.130000000000003 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 71.150000000000006 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 64.010000000000005 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 62.329999999999998 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 73.420000000000002 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.510000000000005 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.299999999999997 111.015 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.129999999999995 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.540000000000006 110.38 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.807 ' HD2' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 111.004 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 72.319999999999993 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 54.109999999999999 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 70.239999999999995 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 62.43 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.040000000000006 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.319999999999993 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.430000000000007 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 44.100000000000001 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 53.109999999999999 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.109999999999999 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.409999999999997 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.87 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 72.299999999999997 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 64.019999999999996 110.313 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.120000000000005 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 72.340000000000003 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.340000000000003 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 1.007 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 73.129999999999995 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.230000000000004 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.230000000000004 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.007 HD12 ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.91 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 64.230000000000004 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.430000000000007 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 61.539999999999999 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 53.25 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 64.430000000000007 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.299999999999997 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 72.530000000000001 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 72.439999999999998 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.099999999999994 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.540000000000006 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.540000000000006 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.402 ' C ' HD23 ' A' ' 32' ' ' LEU . 10.4 t-20 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.129999999999995 109.285 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.040000000000006 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.6 t-80 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.150000000000006 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 44.340000000000003 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 59' ' ' TRP . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 52.039999999999999 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.409999999999997 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.030000000000001 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.733 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 72.109999999999999 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.109999999999999 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.733 ' HB3' HH21 ' A' ' 38' ' ' ARG . 21.3 mm-40 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.826 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.039999999999999 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.409999999999997 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.439999999999998 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 65.109999999999999 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 63.25 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.826 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.510000000000005 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 62.109999999999999 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.230000000000004 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.95 HD13 HG21 ' A' ' 63' ' ' THR . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 51.130000000000003 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 60.140000000000001 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.8 ' NE1' HG22 ' A' ' 40' ' ' THR . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.340000000000003 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.519999999999996 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 52.340000000000003 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.95 HG21 HD13 ' A' ' 57' ' ' ILE . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.519999999999996 110.413 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 64.340000000000003 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.909 ' CG ' HH21 ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 54.130000000000003 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.140000000000001 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.140000000000001 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 71.150000000000006 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.010000000000005 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 62.329999999999998 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 73.420000000000002 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.439999999999998 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.299999999999997 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.129999999999995 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.540000000000006 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.200000000000003 111.011 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 72.319999999999993 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.010000000000005 110.942 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 54.109999999999999 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 70.239999999999995 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 62.43 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.040000000000006 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.350000000000001 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.430000000000007 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.611 ' HB3' HG21 ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.099999999999994 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.909 HH21 ' CG ' ' A' ' 65' ' ' MET . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 72.510000000000005 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 44.100000000000001 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 74.049999999999997 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.129999999999995 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 53.109999999999999 109.259 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 73.340000000000003 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 10' ' ' PHE . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.329999999999998 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.109999999999999 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.340000000000003 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 64.019999999999996 110.303 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.120000000000005 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.019999999999996 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.340000000000003 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 73.129999999999995 110.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.230000000000004 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.230000000000004 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.13 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.109999999999999 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.511 HG22 ' HG3' ' A' ' 12' ' ' MET . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.296 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 61.539999999999999 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 53.25 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.140000000000001 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 64.430000000000007 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 72.530000000000001 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 72.439999999999998 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.040000000000006 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.540000000000006 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.648 ' O ' HD23 ' A' ' 32' ' ' LEU . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 31' ' ' ASN . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.040000000000006 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 44.340000000000003 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 52.039999999999999 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLY . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.030000000000001 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 72.109999999999999 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.796 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.74 HG22 ' NE1' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.109999999999999 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 29.0 mm-40 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.109999999999999 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.409999999999997 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 65.109999999999999 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 63.25 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.444 HG21 ' HG3' ' A' ' 79' ' ' LYS . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.510000000000005 110.404 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 62.109999999999999 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.049999999999997 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' HD13 ' A' ' 75' ' ' ILE . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 51.130000000000003 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.796 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 60.140000000000001 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.74 ' NE1' HG22 ' A' ' 40' ' ' THR . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.340000000000003 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.519999999999996 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 52.340000000000003 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 58' ' ' ILE . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 64.340000000000003 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.827 ' HG2' HH21 ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 54.130000000000003 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.894 HD13 ' HB2' ' A' ' 91' ' ' ARG . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 71.150000000000006 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 64.010000000000005 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 62.329999999999998 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 73.420000000000002 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.495 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.299999999999997 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.495 ' HB ' HG22 ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.540000000000006 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 49' ' ' THR . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.450000000000003 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.200000000000003 111.028 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 72.319999999999993 109.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.010000000000005 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 70.239999999999995 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 90' ' ' GLU . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 62.43 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.040000000000006 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 62.350000000000001 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.430000000000007 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HB3' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.099999999999994 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.894 ' HB2' HD13 ' A' ' 68' ' ' LEU . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 72.510000000000005 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 44.100000000000001 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.210000000000001 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' HD1' ' A' ' 10' ' ' PHE . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 74.049999999999997 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG22 ' CE ' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.129999999999995 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 53.109999999999999 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.13 HD21 ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.557 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 72.409999999999997 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.540000000000006 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 72.299999999999997 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 64.019999999999996 110.339 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.120000000000005 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.019999999999996 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.219999999999999 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.963 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 73.129999999999995 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.230000000000004 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.230000000000004 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.963 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE1' HG13 ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 64.230000000000004 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.430000000000007 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.310000000000002 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 53.25 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.520000000000003 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CE1' HD21 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.430000000000007 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.055 HG13 ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.450000000000003 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.603 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.140000000000001 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 72.530000000000001 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.651 ' HZ3' ' HE2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 72.439999999999998 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.040000000000006 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE2' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.510000000000005 110.401 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.040000000000006 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 60.4 t-80 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.150000000000006 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 44.340000000000003 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 32' ' ' LEU . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 52.039999999999999 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 72.109999999999999 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.741 HG22 ' NE1' ' A' ' 59' ' ' TRP . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.109999999999999 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.039999999999999 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 65.109999999999999 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 63.25 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.439999999999998 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.349999999999994 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 51.130000000000003 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 60.140000000000001 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.741 ' NE1' HG22 ' A' ' 40' ' ' THR . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.879 ' HB3' HG21 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.519999999999996 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 52.340000000000003 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' GLY . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.466 ' HE1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 54.130000000000003 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 71.140000000000001 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 71.150000000000006 109.353 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.209999999999994 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.010000000000005 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 62.329999999999998 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.530000000000001 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 78' ' ' THR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.536 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.299999999999997 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.842 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.540000000000006 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' LYS . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.200000000000003 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.517 ' O ' HG22 ' A' ' 81' ' ' ILE . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.319999999999993 109.22 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 54.109999999999999 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 70.239999999999995 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 62.43 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.040000000000006 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HG2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.099999999999994 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 44.100000000000001 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.049999999999997 109.295 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.129999999999995 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 53.109999999999999 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.329999999999998 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 72.409999999999997 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.340000000000003 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 72.299999999999997 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 110.325 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.120000000000005 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.019999999999996 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 97' ' ' TYR . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.919 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 73.129999999999995 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.230000000000004 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.230000000000004 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.919 HD12 ' HA2' ' A' ' 6' ' ' GLY . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.109999999999999 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 61.539999999999999 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 53.25 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.520000000000003 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.726 ' CE1' HD21 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' C ' ' A' ' 18' ' ' HIS . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.140000000000001 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 72.530000000000001 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 72.439999999999998 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.099999999999994 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.540000000000006 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.540000000000006 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.7 t-20 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.040000000000006 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.150000000000006 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 44.340000000000003 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 52.039999999999999 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.76 ' CZ ' HD12 ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.030000000000001 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 72.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 74.329999999999998 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.568 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.109999999999999 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.219999999999999 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.847 ' HB3' HH21 ' A' ' 38' ' ' ARG . 28.8 mm-40 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.109999999999999 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.039999999999999 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.409999999999997 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 63.25 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.439999999999998 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.529 HG21 ' HG2' ' A' ' 79' ' ' LYS . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.756 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.329999999999998 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.049999999999997 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HZ2' ' HB3' ' A' ' 55' ' ' LYS . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 51.130000000000003 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 60.140000000000001 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 40' ' ' THR . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.120000000000005 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.519999999999996 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 52.340000000000003 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 54.130000000000003 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.140000000000001 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 91' ' ' ARG . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 71.150000000000006 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.209999999999994 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 64.010000000000005 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 62.329999999999998 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.530000000000001 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.756 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.510000000000005 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.299999999999997 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.540000000000006 110.47 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HG2' HG21 ' A' ' 49' ' ' THR . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.450000000000003 109.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' ILE . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 72.319999999999993 109.339 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.010000000000005 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 54.109999999999999 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 70.239999999999995 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 87' ' ' LYS . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 62.43 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 85' ' ' ILE . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.319999999999993 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 62.350000000000001 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.430000000000007 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.099999999999994 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 72.510000000000005 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 44.100000000000001 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.210000000000001 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 6' ' ' GLY . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.049999999999997 109.277 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.129999999999995 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 53.109999999999999 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.329999999999998 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.109999999999999 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.409999999999997 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.540000000000006 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 110.404 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 72.299999999999997 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 110.253 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.120000000000005 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.019999999999996 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' TYR . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.230000000000004 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 12' ' ' MET . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.53 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.430000000000007 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 61.539999999999999 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.310000000000002 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 53.25 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.520000000000003 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.299999999999997 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.450000000000003 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.602 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.140000000000001 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 72.530000000000001 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 72.439999999999998 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.040000000000006 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.099999999999994 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.540000000000006 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.540000000000006 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.714 ' O ' HD23 ' A' ' 32' ' ' LEU . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 31' ' ' ASN . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.040000000000006 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 65.7 t-80 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.150000000000006 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 44.340000000000003 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 52.039999999999999 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.409999999999997 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.030000000000001 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 72.109999999999999 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 74.329999999999998 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.579 HG22 ' CE2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.109999999999999 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.219999999999999 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.109999999999999 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.039999999999999 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.439999999999998 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 65.109999999999999 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 63.25 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.608 HG22 ' HE2' ' A' ' 79' ' ' LYS . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.510000000000005 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 62.109999999999999 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.349999999999994 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.329999999999998 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.049999999999997 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' A' ' 75' ' ' ILE . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 51.130000000000003 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.815 ' O ' HG21 ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 60.140000000000001 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE2' HG22 ' A' ' 40' ' ' THR . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.519999999999996 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 52.340000000000003 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 60' ' ' GLY . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 64.340000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 54.130000000000003 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 71.140000000000001 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.150000000000006 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 64.010000000000005 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 62.329999999999998 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.299999999999997 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.540000000000006 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.608 ' HE2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.200000000000003 110.957 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 81' ' ' ILE . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.010000000000005 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 54.109999999999999 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 70.239999999999995 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.43 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.040000000000006 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.350000000000001 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.430000000000007 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.510000000000005 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 44.100000000000001 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 6' ' ' GLY . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 74.049999999999997 109.332 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.340000000000003 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.97 HD21 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' VAL . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 72.409999999999997 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.540000000000006 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 72.299999999999997 109.326 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 64.019999999999996 110.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.120000000000005 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.019999999999996 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 97' ' ' TYR . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 73.129999999999995 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.230000000000004 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 13' ' ' LYS . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.198 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.109999999999999 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 64.230000000000004 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 61.539999999999999 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 53.25 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.140000000000001 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.520000000000003 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 64.430000000000007 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.140000000000001 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 72.530000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 72.439999999999998 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.040000000000006 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.099999999999994 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.510000000000005 110.331 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.540000000000006 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' HD23 ' A' ' 32' ' ' LEU . 12.9 t-20 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.040000000000006 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.5 t-80 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 44.340000000000003 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 52.039999999999999 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 73.409999999999997 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.030000000000001 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 72.109999999999999 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.013 HG22 ' NE1' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.109999999999999 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.109999999999999 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.039999999999999 109.274 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.409999999999997 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.439999999999998 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.109999999999999 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 63.25 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.526 HG21 ' HD3' ' A' ' 79' ' ' LYS . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.230000000000004 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.349999999999994 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.329999999999998 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.049999999999997 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 73.030000000000001 111.003 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.739 HD13 ' CG2' ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 51.130000000000003 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.805 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 60.140000000000001 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.340000000000003 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.120000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.519999999999996 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 52.340000000000003 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.519999999999996 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 64.340000000000003 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 54.130000000000003 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.140000000000001 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' HD12 ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 71.140000000000001 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 71.150000000000006 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.209999999999994 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.010000000000005 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 62.329999999999998 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.530000000000001 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 73.420000000000002 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.439999999999998 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.797 ' O ' HG22 ' A' ' 78' ' ' THR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.510000000000005 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.583 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.299999999999997 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.540000000000006 110.454 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.526 ' HD3' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 111.003 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 72.319999999999993 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 54.109999999999999 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 70.239999999999995 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 62.43 109.291 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.040000000000006 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.319999999999993 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 62.350000000000001 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.430000000000007 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.45 ' CG ' HG21 ' A' ' 85' ' ' ILE . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.099999999999994 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 72.510000000000005 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 44.100000000000001 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.210000000000001 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.049999999999997 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.129999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.109999999999999 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.781 ' HA ' HG13 ' A' ' 3' ' ' VAL . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.198 HD21 ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.329999999999998 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG3' HG21 ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 72.409999999999997 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.540000000000006 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.340000000000003 110.474 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 72.299999999999997 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 64.019999999999996 110.352 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.120000000000005 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.219999999999999 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.684 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 11' ' ' ILE . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.230000000000004 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 11' ' ' ILE . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.684 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 8' ' ' LYS . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 64.230000000000004 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.430000000000007 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 61.539999999999999 109.303 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 53.25 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 11.9 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.140000000000001 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.520000000000003 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.430000000000007 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.892 HG21 ' HB1' ' A' ' 101' ' ' ALA . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.450000000000003 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.140000000000001 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 72.530000000000001 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 72.439999999999998 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.5 m-70 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.040000000000006 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.099999999999994 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 110.396 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.540000000000006 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.540000000000006 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.129999999999995 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 35' ' ' LEU . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.040000000000006 109.241 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 64.8 t-80 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.150000000000006 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 44.340000000000003 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 52.039999999999999 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 72.109999999999999 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 74.329999999999998 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' NE1' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.109999999999999 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.735 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.742 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.039999999999999 109.275 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.409999999999997 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 65.109999999999999 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.25 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 110.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.109999999999999 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.349999999999994 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.049999999999997 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 73.030000000000001 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.654 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 51.130000000000003 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 60.140000000000001 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.698 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.340000000000003 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 52.340000000000003 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.519999999999996 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 64.340000000000003 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' HH21 ' A' ' 91' ' ' ARG . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 54.130000000000003 111.018 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 68' ' ' LEU . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.140000000000001 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 67' ' ' TYR . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 64.010000000000005 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 62.329999999999998 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.530000000000001 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 73.420000000000002 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.898 ' O ' HG22 ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.510000000000005 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.299999999999997 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.540000000000006 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.200000000000003 111.056 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 72.319999999999993 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.010000000000005 110.997 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 70.239999999999995 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 62.43 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 62.350000000000001 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.814 HH21 ' HG2' ' A' ' 65' ' ' MET . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.510000000000005 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 44.100000000000001 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.210000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 74.049999999999997 109.356 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.129999999999995 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.109999999999999 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.329999999999998 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 72.409999999999997 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.892 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.540000000000006 109.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.03 HG22 ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.299999999999997 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.019999999999996 110.356 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.120000000000005 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.019999999999996 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.340000000000003 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.744 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HG2' HD11 ' A' ' 11' ' ' ILE . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.230000000000004 109.256 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.230000000000004 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.744 HD12 ' HA2' ' A' ' 6' ' ' GLY . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.430000000000007 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.995 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.109999999999999 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.62 HG22 ' HG3' ' A' ' 12' ' ' MET . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.62 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 110.969 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.539999999999999 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.310000000000002 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 53.25 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.140000000000001 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.129999999999995 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.140000000000001 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 72.530000000000001 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 72.439999999999998 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.040000000000006 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' LYS . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.510000000000005 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.540000000000006 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 35' ' ' LEU . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.040000000000006 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 44.340000000000003 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CD1' ' A' ' 59' ' ' TRP . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 52.039999999999999 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE2' HD12 ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.030000000000001 110.949 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' NE ' HD12 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 72.109999999999999 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 74.329999999999998 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.932 HG22 ' NE1' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.109999999999999 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.409999999999997 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 65.109999999999999 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 63.25 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 62.109999999999999 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.230000000000004 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.049999999999997 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 73.030000000000001 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 HD11 ' CH2' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 51.130000000000003 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 60.140000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.932 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.120000000000005 110.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HG3' ' HZ1' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.519999999999996 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 52.340000000000003 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.519999999999996 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD12 ' CE2' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 54.130000000000003 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 75' ' ' ILE . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 71.140000000000001 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 71.150000000000006 109.28 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.492 ' ND2' ' NZ ' ' A' ' 73' ' ' LYS . 18.2 m-20 -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 64.010000000000005 109.377 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.459 ' CG ' ' HE2' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 62.329999999999998 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' NZ ' ' ND2' ' A' ' 70' ' ' ASN . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 73.420000000000002 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.439999999999998 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 78' ' ' THR . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.299999999999997 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.459 ' HE2' ' CG ' ' A' ' 71' ' ' PRO . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.010000000000005 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 70.239999999999995 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 62.43 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.040000000000006 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 62.350000000000001 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.430000000000007 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.531 ' OE1' HD13 ' A' ' 9' ' ' ILE . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.099999999999994 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.510000000000005 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 44.100000000000001 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.210000000000001 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.281 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.129999999999995 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 53.109999999999999 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.995 HD21 ' CE1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.409999999999997 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.340000000000003 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 72.299999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 64.019999999999996 110.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.120000000000005 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.019999999999996 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG11 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.340000000000003 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 111.02 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.230000000000004 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 6' ' ' GLY . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.430000000000007 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.182 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.109999999999999 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 64.230000000000004 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 61.539999999999999 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.310000000000002 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 53.25 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.140000000000001 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.520000000000003 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.71 ' O ' HG23 ' A' ' 19' ' ' THR . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.299999999999997 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.129999999999995 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.140000000000001 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 72.530000000000001 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 72.439999999999998 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.040000000000006 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.099999999999994 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.510000000000005 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.540000000000006 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.540000000000006 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.634 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.129999999999995 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 31' ' ' ASN . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.040000000000006 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.150000000000006 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 44.340000000000003 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 52.039999999999999 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 73.409999999999997 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 72.109999999999999 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.017 HG22 ' NE1' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.109999999999999 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.039999999999999 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.409999999999997 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 65.109999999999999 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 63.25 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 62.109999999999999 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.329999999999998 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.049999999999997 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 73.030000000000001 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.41 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 51.130000000000003 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.993 ' O ' HG21 ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 60.140000000000001 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.017 ' NE1' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.857 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.120000000000005 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 52.340000000000003 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.993 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 64.340000000000003 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 54.130000000000003 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 64.010000000000005 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 62.329999999999998 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.530000000000001 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.299999999999997 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.129999999999995 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.540000000000006 110.437 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.450000000000003 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 111.021 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 54.109999999999999 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 70.239999999999995 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.517 HD12 ' HG3' ' A' ' 91' ' ' ARG . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 62.43 109.363 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.040000000000006 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.319999999999993 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 62.350000000000001 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.099999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.510000000000005 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 44.100000000000001 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.049999999999997 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 64' ' ' LEU . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.333 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.109999999999999 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' A' ' 20' ' ' VAL . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 73.340000000000003 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.182 HD21 ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.709 ' CB ' HG11 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.409999999999997 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.340000000000003 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 64.019999999999996 110.292 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.120000000000005 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.019999999999996 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 72.340000000000003 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.981 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HE3' HD11 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.230000000000004 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.929 ' HA ' HD12 ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.981 HD12 ' HA2' ' A' ' 6' ' ' GLY . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.12 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.109999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 64.230000000000004 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.430000000000007 110.918 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 61.539999999999999 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 53.25 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.702 ' O ' HG23 ' A' ' 19' ' ' THR . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 64.430000000000007 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.299999999999997 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.140000000000001 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 72.530000000000001 110.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 72.439999999999998 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.395 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.540000000000006 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.540000000000006 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.42 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 7.7 t-20 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.129999999999995 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.040000000000006 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 44.340000000000003 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 52.039999999999999 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 73.409999999999997 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.641 ' HD2' HD12 ' A' ' 35' ' ' LEU . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 72.109999999999999 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 74.329999999999998 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.785 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.109999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.219999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.109999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.039999999999999 109.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.409999999999997 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 65.109999999999999 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 63.25 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.439999999999998 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.373 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 62.109999999999999 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.329999999999998 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.049999999999997 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 73.030000000000001 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 51.130000000000003 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 60.140000000000001 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.785 ' NE1' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.340000000000003 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.519999999999996 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 52.340000000000003 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 60' ' ' GLY . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 54.130000000000003 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 71.140000000000001 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 71.150000000000006 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 64.010000000000005 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 62.329999999999998 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.530000000000001 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.553 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.299999999999997 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.129999999999995 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 75' ' ' ILE . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.540000000000006 110.468 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 54.109999999999999 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 70.239999999999995 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 62.43 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.040000000000006 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 62.350000000000001 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.430000000000007 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.510000000000005 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 44.100000000000001 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.210000000000001 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.049999999999997 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 53.109999999999999 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.340000000000003 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.12 HD21 ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.329999999999998 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.109999999999999 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 72.409999999999997 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.540000000000006 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 110.382 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 72.299999999999997 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 64.019999999999996 110.293 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.120000000000005 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.019999999999996 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 72.340000000000003 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 11' ' ' ILE . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.086 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.109999999999999 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.656 HD11 ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 64.230000000000004 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 11' ' ' ILE . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 111.034 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 61.539999999999999 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 53.25 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.520000000000003 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.129999999999995 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 72.530000000000001 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 72.439999999999998 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.099999999999994 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.510000000000005 110.344 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.540000000000006 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.28 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.645 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 23.0 t-80 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 44.340000000000003 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD21 ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 52.039999999999999 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 72.109999999999999 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.061 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.109999999999999 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 6.5 tp-100 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.109999999999999 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.039999999999999 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.409999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.439999999999998 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 65.109999999999999 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.25 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 62.109999999999999 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.230000000000004 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.349999999999994 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.329999999999998 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.049999999999997 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 73.030000000000001 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 51.130000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG21 ' A' ' 63' ' ' THR . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 60.140000000000001 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.061 ' NE1' HG22 ' A' ' 40' ' ' THR . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.120000000000005 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.519999999999996 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 52.340000000000003 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 58' ' ' ILE . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 64.340000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 54.130000000000003 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.140000000000001 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.140000000000001 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 95' ' ' ILE . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 71.150000000000006 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 64.010000000000005 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 62.329999999999998 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.510000000000005 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.299999999999997 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.540000000000006 110.436 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.200000000000003 111.048 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.319999999999993 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.010000000000005 110.952 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 54.109999999999999 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 70.239999999999995 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 62.43 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.040000000000006 109.245 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.350000000000001 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CG ' HG21 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.099999999999994 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 72.510000000000005 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 44.100000000000001 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.210000000000001 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 74.049999999999997 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 HD12 ' A' ' 68' ' ' LEU . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 53.109999999999999 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.086 HD21 ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.409999999999997 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.340000000000003 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.299999999999997 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 64.019999999999996 110.307 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.120000000000005 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.019999999999996 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 72.340000000000003 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.230000000000004 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.703 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.067 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.109999999999999 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 64.230000000000004 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 61.539999999999999 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.310000000000002 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.25 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 34.5 tp60 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.140000000000001 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.520000000000003 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 19' ' ' THR . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.430000000000007 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.450000000000003 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.140000000000001 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 72.530000000000001 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 72.439999999999998 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 110.341 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 35' ' ' LEU . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.040000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.150000000000006 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 44.340000000000003 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 32' ' ' LEU . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 52.039999999999999 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 73.409999999999997 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.030000000000001 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 72.109999999999999 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.009 HG22 ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.219999999999999 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.039999999999999 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.409999999999997 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 65.109999999999999 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.25 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.447 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.510000000000005 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 62.109999999999999 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.230000000000004 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.349999999999994 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.049999999999997 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' THR . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 51.130000000000003 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 60.140000000000001 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.009 ' NE1' HG22 ' A' ' 40' ' ' THR . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.340000000000003 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.717 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.553 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.519999999999996 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 52.340000000000003 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.988 HG21 HD13 ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.519999999999996 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 64.340000000000003 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 54.130000000000003 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 71.140000000000001 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 71.150000000000006 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 62.329999999999998 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.530000000000001 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 73.420000000000002 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.014 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HH2' ' A' ' 59' ' ' TRP . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.510000000000005 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.299999999999997 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 75' ' ' ILE . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.540000000000006 110.453 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.200000000000003 110.996 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 81' ' ' ILE . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 109.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.010000000000005 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 54.109999999999999 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.688 HG21 ' H ' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 62.43 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.040000000000006 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.554 ' O ' HG22 ' A' ' 85' ' ' ILE . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 62.350000000000001 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.430000000000007 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.099999999999994 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' HG21 ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 72.510000000000005 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 44.100000000000001 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.51 HD13 ' HB ' ' A' ' 9' ' ' ILE . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.049999999999997 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.772 ' CG2' ' HZ2' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.129999999999995 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 53.109999999999999 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.772 ' HZ2' ' CG2' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 72.409999999999997 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.340000000000003 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 72.299999999999997 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 64.019999999999996 110.26 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 73.120000000000005 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.92 119.79 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 74.019999999999996 109.297 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 100' ' ' LYS . 24.3 t -92.66 -33.14 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.64 -45.11 91.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 110.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 7.8 mptt -62.71 -64.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.306 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.869 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.13 -29.07 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HG2' HD11 ' A' ' 11' ' ' ILE . 24.1 ttpp -65.77 -55.41 17.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -57.58 -39.3 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 71.230000000000004 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.869 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -62.9 -74.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.03 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.79 -44.46 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' HG2' ' A' ' 7' ' ' LYS . 24.2 mt -45.57 -46.39 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 64.230000000000004 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 ttp -128.4 41.02 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ILE . 13.0 tppt? -134.26 -55.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 61.539999999999999 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.7 m -122.08 -49.72 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 108.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.7 p -41.37 -29.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 53.25 109.998 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' CYS . 21.9 tp60 -39.24 -46.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.140000000000001 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.42 -52.95 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 61.520000000000003 108.281 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 19' ' ' THR . 95.6 m-70 -56.9 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 64.430000000000007 109.587 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.95 107.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.25 110.432 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -86.77 48.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.17 111.39 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.450000000000003 110.301 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 21.9 tptp -40.81 121.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 74.129999999999995 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.06 10.7 41.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 52.140000000000001 111.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.5 176.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 72.530000000000001 110.962 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -111.75 164.7 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 72.439999999999998 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.3 m-70 -91.69 42.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 75.040000000000006 109.603 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -57.06 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' HMD3 ' A' ' 500' ' ' HEC . 37.5 m -38.94 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.436 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -129.32 155.61 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 169.66 22.13 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 18.7 t-20 -73.11 156.45 38.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 50.2 mt -130.4 59.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 64.040000000000006 109.342 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 61.6 t-80 -122.96 89.16 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 109.591 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.21 20.57 22.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 44.340000000000003 111.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.783 HD21 HMA3 ' A' ' 500' ' ' HEC . 3.4 tp -63.72 -22.01 66.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 52.039999999999999 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 72.7 m-85 -82.17 109.47 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.66 32.24 5.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 72.030000000000001 111.038 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 1.6 ptp180 -145.77 159.62 42.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 72.109999999999999 110.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 5.2 mptt -80.78 167.45 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.98 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.4 p -89.19 175.63 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 45.82 39.46 8.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 74.219999999999999 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 23.3 mm-40 -97.28 -45.03 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 73.109999999999999 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 52.039999999999999 109.284 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.01 135.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 73.409999999999997 111.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.45 31.43 27.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -121.13 162.89 19.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 65.109999999999999 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.34 41.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 63.25 109.973 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -41.08 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 110.99 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.548 HG23 HBD2 ' A' ' 500' ' ' HEC . 62.4 p -84.91 153.47 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 110.422 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.1 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 62.109999999999999 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 75' ' ' ILE . . . -97.01 -15.81 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 71.230000000000004 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 21.3 t-20 -68.04 -33.2 74.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.349999999999994 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -40.17 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.251 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -42.98 -65.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.049999999999997 109.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -40.82 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 75.5 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.85 63.59 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 110.947 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.598 HD11 ' CH2' ' A' ' 59' ' ' TRP . 1.6 pp -121.48 174.97 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 51.130000000000003 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' HG21 ' A' ' 63' ' ' THR . 9.2 mm -100.59 108.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 60.140000000000001 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.98 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.9 m95 -61.39 155.25 22.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 107.999 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.727 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 178.93 -142.68 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 65.120000000000005 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.66 -28.37 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.8 m-20 -88.63 -67.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 52.340000000000003 109.263 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.705 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.3 p -38.78 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.519999999999996 110.374 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 60' ' ' GLY . 46.3 mt -78.07 -68.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mtp -37.83 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 54.130000000000003 110.992 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.5 tp10 -87.32 -48.29 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.342 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' HD23 ' A' ' 68' ' ' LEU . 23.7 t80 -61.72 -60.34 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 71.140000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD21 HMB2 ' A' ' 500' ' ' HEC . 47.6 mt -41.58 -53.47 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 6.4 tt0 -38.97 -43.41 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 110.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 78.8 m-20 -149.79 98.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 64.010000000000005 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.61 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 62.329999999999998 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 73' ' ' LYS . 4.0 ptpp? -61.18 -50.5 72.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -56.76 -68.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.420000000000002 109.358 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -42.93 -48.4 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.984 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.656 HD13 ' HG3' ' A' ' 55' ' ' LYS . 2.9 mm -115.44 90.98 27.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 101.21 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 71.299999999999997 110.978 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.64 8.03 9.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 111.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 75' ' ' ILE . 1.1 t -73.46 147.66 43.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.41 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 9.5 ptpt -89.47 -14.63 34.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 13.6 ttt -56.35 90.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.97 103.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -159.01 125.98 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 110.975 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 84' ' ' GLY . 13.0 p -65.84 -53.6 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 54.109999999999999 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.547 ' N ' HG13 ' A' ' 83' ' ' VAL . . . 135.53 177.38 14.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 70.239999999999995 111.04 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 86' ' ' LYS . 31.3 mt -122.0 165.45 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 62.43 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.9 ptpt -132.9 -55.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.479 ' HZ3' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -48.49 125.47 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 109.27 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -67.85 -58.06 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -52.52 -31.98 38.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 70.430000000000007 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' HZ3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -64.07 -43.65 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.099999999999994 110.291 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 85' ' ' ILE . 66.2 mtm-85 -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.28 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 44.100000000000001 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.59 -52.22 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 61.210000000000001 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 ' HD1' ' A' ' 10' ' ' PHE . 3.6 tt -50.71 -46.51 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.049999999999997 109.283 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 79.5 mt -64.71 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.58 43.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 53.109999999999999 109.339 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -45.33 -45.14 12.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.03 HD21 ' CE1' ' A' ' 10' ' ' PHE . 54.7 mt -60.96 -45.21 95.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 95' ' ' ILE . 0.1 OUTLIER -54.83 -20.16 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.109999999999999 109.333 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 3' ' ' VAL . 72.9 mmtt -100.83 -23.66 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.409999999999997 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -86.76 -75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.540000000000006 109.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -61.52 -33.58 74.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 110.423 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -112.81 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 109.294 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 3.8 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 64.019999999999996 110.256 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.804 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.008 -0.837 . . . . 73.120000000000005 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 t70 -77.78 156.69 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 74.019999999999996 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -109.51 -42.47 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 72.340000000000003 109.287 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -53.4 -55.63 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 110.372 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 21.2 mmmt -62.67 -62.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.996 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -48.11 -24.19 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 73.129999999999995 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' CG ' HD11 ' A' ' 11' ' ' ILE . 24.2 tttp -78.07 -51.87 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 72.230000000000004 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -56.63 -34.19 67.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 71.230000000000004 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.996 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.9 mt -64.7 -78.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 74.430000000000007 109.266 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.849 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -41.6 -45.99 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 110.98 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 27.0 mt -42.06 -47.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 64.230000000000004 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 ttp -131.2 42.99 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -133.36 -57.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 61.539999999999999 109.354 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -107.61 -41.85 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.395 1.059 . . . . 73.310000000000002 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -40.05 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 53.25 110.043 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' CYS . 72.6 tp60 -38.9 -47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 64.140000000000001 110.342 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.73 -53.59 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 108.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -60.49 176.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 64.430000000000007 109.594 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.99 108.19 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 74.25 110.411 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 m -87.81 51.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -143.49 110.36 5.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 15.6 ttmt -40.95 134.47 1.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.84 58.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 52.140000000000001 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.73 -159.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 72.530000000000001 110.975 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -133.26 158.27 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 72.439999999999998 109.329 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.5 m-70 -90.36 44.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 75.040000000000006 109.602 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -60.71 -160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 109.326 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' HMD3 ' A' ' 500' ' ' HEC . 98.9 m -40.25 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.395 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.76 156.74 22.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 64.540000000000006 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.97 170.83 19.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 74.540000000000006 110.924 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 19' ' ' THR . 20.5 t-20 -82.45 146.58 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' CD2' HD22 ' A' ' 35' ' ' LEU . 47.0 mt -126.07 79.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 64.040000000000006 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 22' ' ' LYS . 43.6 t-80 -134.56 68.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.150000000000006 109.598 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 113.04 22.13 5.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 44.340000000000003 111.047 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 32' ' ' LEU . 14.3 tp -70.2 -15.53 62.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 0.76 . . . . 52.039999999999999 109.274 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -76.95 93.83 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.994 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 -23.6 4.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 72.030000000000001 111.029 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' CG ' HD12 ' A' ' 35' ' ' LEU . 15.3 ptp180 -92.1 159.61 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 72.109999999999999 110.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.26 168.3 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 109.321 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.819 HG22 ' NE1' ' A' ' 59' ' ' TRP . 7.7 p -89.52 155.91 18.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 70.109999999999999 110.417 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 75.22 14.65 81.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 111.026 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' ALA . 16.1 mm-40 -82.28 -42.87 18.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.743 . . . . 73.109999999999999 110.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 52.039999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.03 162.03 37.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 73.409999999999997 110.999 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.54 24.48 47.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.7 t80 -118.82 162.8 17.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.577 0.81 . . . . 65.109999999999999 110.978 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -112.29 68.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 63.25 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.808 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -60.36 -168.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 111.047 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' HBD2 ' A' ' 500' ' ' HEC . 67.8 p -114.92 151.22 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 75.510000000000005 110.461 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 -18.07 16.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 62.109999999999999 109.28 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -90.87 -30.99 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 11.9 t-20 -56.5 -49.69 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 74.349999999999994 109.299 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -43.19 66.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.183 . . . . 72.329999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -41.17 -47.72 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.255 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 10.5 mmmt -42.53 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 75.5 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.68 52.53 33.58 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 73.030000000000001 110.988 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.665 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.6 pp -126.72 178.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 51.130000000000003 109.23 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -110.28 94.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 60.140000000000001 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.5 m95 -46.18 149.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 107.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.742 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.49 -127.95 1.08 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 111.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -89.44 -74.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 74.519999999999996 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.33 -49.35 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 52.340000000000003 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -46.61 -24.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.59 1.182 . . . . 72.519999999999996 110.408 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 60' ' ' GLY . 62.7 mt -95.76 -41.87 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 64.340000000000003 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.557 ' HE3' ' NH1' ' A' ' 91' ' ' ARG . 7.8 mtp -59.36 -14.58 12.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 54.130000000000003 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -105.63 -26.69 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' OH ' ' C1A' ' A' ' 500' ' ' HEC . 47.6 t80 -85.55 -61.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 71.140000000000001 111.008 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HB2' HH21 ' A' ' 91' ' ' ARG . 70.3 mt -47.7 -42.8 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 71.150000000000006 109.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -55.39 -40.96 72.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -156.49 83.54 3.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 64.010000000000005 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 62.329999999999998 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -50.68 -26.96 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.530000000000001 109.349 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -93.71 -61.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 109.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 12.9 t80 -37.69 -50.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 75.439999999999998 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.767 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mt -115.42 90.21 24.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 71.299999999999997 111.02 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.86 -7.94 6.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 111.037 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.1 t -70.39 146.25 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 72.540000000000006 110.357 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -98.68 18.02 17.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.313 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 6.9 ttt -88.02 89.3 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 72.200000000000003 111.012 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mm -81.38 97.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 83' ' ' VAL . 73.5 t80 -118.62 172.47 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 75.010000000000005 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' N ' ' CD2' ' A' ' 82' ' ' PHE . 12.6 t -105.21 73.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 54.109999999999999 109.235 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -36.0 110.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 70.239999999999995 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.22 147.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 62.43 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.62 -36.55 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 65.040000000000006 109.214 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -75.21 98.79 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.273 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 36.9 tttt -54.09 -34.5 60.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 62.350000000000001 109.33 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 20.6 mm-40 -67.03 -42.96 83.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -63.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 110.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.748 HH22 HD11 ' A' ' 95' ' ' ILE . 3.6 ptm180 -58.49 -30.53 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 72.510000000000005 110.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 88' ' ' LYS . . . -55.99 -44.19 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 44.100000000000001 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.11 -18.34 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 61.210000000000001 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.9 tt -70.76 -28.72 64.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 HH22 ' A' ' 91' ' ' ARG . 50.3 mt -74.47 -51.98 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 64.129999999999995 109.236 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.46 -57.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 53.109999999999999 109.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 18.9 t80 -42.29 -50.89 4.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD21 ' CE2' ' A' ' 10' ' ' PHE . 21.4 mt -59.07 -37.23 76.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -65.96 -13.4 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.409999999999997 109.241 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.51 -77.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.540000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -62.99 -12.61 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 110.381 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.5 t-20 -81.47 -17.65 47.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 72.299999999999997 109.298 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 110.29 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.792 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 73.120000000000005 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -87.33 116.63 25.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 74.019999999999996 109.338 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.9 p -83.24 -31.1 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -70.54 -51.07 31.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.25 -57.88 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.886 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.92 -21.09 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 110.937 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 20.8 ttpt -77.69 -57.27 3.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 72.230000000000004 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -49.25 -36.99 21.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.325 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.886 HD12 ' HA2' ' A' ' 6' ' ' GLY . 35.3 mt -60.65 -76.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 109.376 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.989 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -39.55 -46.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -41.35 -49.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 64.230000000000004 109.278 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.9 mtm -124.51 32.65 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 111.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.57 -51.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 61.539999999999999 109.316 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.11 -49.97 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 108.294 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.2 t -40.78 -33.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 53.25 110.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -39.13 -49.51 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 64.140000000000001 110.309 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.5 -51.3 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 61.520000000000003 108.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 19' ' ' THR . 91.6 m-70 -62.22 179.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.633 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 117.76 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 74.25 110.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -87.72 47.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 73.299999999999997 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.74 120.63 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 22.6 tptp -41.91 161.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 74.129999999999995 109.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.8 30.4 2.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.548 1.155 . . . . 52.140000000000001 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -54.96 -166.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.938 -0.865 . . . . 72.530000000000001 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -112.49 152.17 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 72.439999999999998 109.314 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.03 40.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.040000000000006 109.56 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 2.2 ttpt -57.93 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.099999999999994 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HMD3 ' A' ' 500' ' ' HEC . 16.3 m -40.14 -29.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 110.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -131.62 158.29 22.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.0 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 74.540000000000006 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 19' ' ' THR . 21.8 t-20 -81.39 139.54 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD2' HD22 ' A' ' 35' ' ' LEU . 82.4 mt -118.98 75.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 64.040000000000006 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.7 t-80 -132.59 73.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 74.150000000000006 109.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.12 31.4 3.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 44.340000000000003 110.966 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.857 HD12 ' HD3' ' A' ' 38' ' ' ARG . 6.9 tp -92.54 23.5 3.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 52.039999999999999 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.87 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.48 -17.73 2.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 72.030000000000001 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.857 ' HD3' HD12 ' A' ' 35' ' ' LEU . 11.9 ptm180 -95.59 159.37 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 72.109999999999999 110.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' A' ' 58' ' ' ILE . 2.9 mmmm -74.96 177.42 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 109.283 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -83.1 178.93 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.33 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.63 56.24 2.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 111.089 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HB3' HH21 ' A' ' 38' ' ' ARG . 31.7 mm-40 -105.42 -49.69 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 0.719 . . . . 73.109999999999999 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.3 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 52.039999999999999 109.233 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.99 129.06 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 73.409999999999997 110.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.78 19.24 34.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 73.439999999999998 110.954 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -108.86 161.74 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 65.109999999999999 110.948 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.32 42.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 63.25 110.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -42.71 166.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 74.439999999999998 111.003 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.563 ' CG2' ' CD ' ' A' ' 79' ' ' LYS . 60.7 p -88.78 151.9 22.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.32 -17.74 32.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 62.109999999999999 109.233 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -93.89 -19.42 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.259 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 27.0 t-20 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -90.02 -44.48 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 72.329999999999998 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.9 t-20 -40.49 -59.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.049999999999997 109.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -40.67 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.5 109.275 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.15 72.38 0.91 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 111.027 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 2.0 pp -131.97 178.37 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 51.130000000000003 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -106.13 109.83 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 60.140000000000001 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.989 ' NE1' HG22 ' A' ' 40' ' ' THR . 42.3 m95 -64.44 160.54 18.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 108.024 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 170.94 -136.94 4.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 110.937 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 99' ' ' LYS . 11.3 mt-10 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.9 m-20 -76.58 -67.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 52.340000000000003 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.859 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.77 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 110.421 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 14.6 mt -77.19 -57.87 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 64.340000000000003 109.311 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mtp -56.56 -16.82 6.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 54.130000000000003 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -92.82 -21.38 19.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 74.140000000000001 110.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 46.5 t80 -89.34 -50.07 6.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 71.140000000000001 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' CD1' HBB2 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -48.53 -45.98 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 71.150000000000006 109.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 6.0 pt-20 -41.77 -44.43 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 m120 -162.39 90.41 1.34 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 64.010000000000005 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 -24.61 12.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 62.329999999999998 110.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -71.53 -29.13 64.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 74.530000000000001 109.273 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -88.41 -63.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 73.420000000000002 109.384 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -37.79 -49.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.928 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 67' ' ' TYR . 14.7 mt -115.34 90.95 26.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.308 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.5 Cg_endo -74.96 120.13 5.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 71.299999999999997 111.047 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.52 30.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 72.129999999999995 110.983 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.546 ' HG1' ' CGD' ' A' ' 500' ' ' HEC . 7.5 t -80.33 175.38 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.787 . . . . 72.540000000000006 110.42 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -107.81 -31.44 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.4 1.062 . . . . 74.450000000000003 109.258 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.417 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 1.5 ttt -39.78 120.34 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.421 ' O ' HG22 ' A' ' 81' ' ' ILE . 18.6 mm -108.54 65.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.319999999999993 109.347 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -114.53 134.33 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.072 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.4 -16.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 54.109999999999999 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.04 -161.63 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 70.239999999999995 111.019 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 91' ' ' ARG . 90.7 mt -143.15 141.21 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 62.43 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -105.35 -50.19 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 65.040000000000006 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 112.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -57.45 -44.32 84.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.350000000000001 109.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -61.2 -38.6 87.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 70.430000000000007 110.314 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.82 -43.16 98.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 110.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' ' 95' ' ' ILE . 52.1 mtm-85 -81.99 -10.99 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 72.510000000000005 110.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.74 -15.81 29.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 44.100000000000001 109.327 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -104.57 -46.3 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 61.210000000000001 109.344 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.5 tm? -54.8 -26.98 38.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 74.049999999999997 109.277 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 91' ' ' ARG . 74.2 mt -86.21 -39.27 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 64.129999999999995 109.234 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.96 -55.3 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 53.109999999999999 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -47.33 -45.39 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 73.340000000000003 110.963 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.989 HD21 ' CE1' ' A' ' 10' ' ' PHE . 51.2 mt -58.92 -38.75 79.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.329999999999998 109.317 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -64.71 -14.11 57.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.109999999999999 109.285 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -115.18 -9.14 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.409999999999997 109.303 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -94.48 -76.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.67 -15.12 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.37 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -100.91 -67.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 72.299999999999997 109.345 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 64.019999999999996 110.258 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 73.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.74 118.94 21.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 97' ' ' TYR . 29.9 t -79.42 -43.59 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 72.340000000000003 109.374 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.04 -49.72 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -54.63 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.71 -17.47 14.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 14.3 tttm -81.78 -56.45 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 72.230000000000004 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.82 -30.59 10.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 71.230000000000004 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.6 mt -70.77 -74.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.251 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.073 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -47.09 -24.57 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 111.048 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 7' ' ' LYS . 23.2 mt -65.53 -42.31 92.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 64.230000000000004 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.6 mtm -130.48 42.61 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.430000000000007 110.943 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE3' HG23 ' A' ' 9' ' ' ILE . 10.5 tppt? -135.32 -49.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.539999999999999 109.228 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -116.54 -45.31 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 108.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -39.33 -29.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 53.25 110.038 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 14' ' ' CYS . 7.4 mm100 -41.52 -51.12 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 110.287 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.48 -51.26 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 61.520000000000003 108.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CE1' HD21 ' A' ' 32' ' ' LEU . 88.0 m-70 -61.49 170.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 109.587 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 18' ' ' HIS . 24.7 p -157.06 113.92 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 74.25 110.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -83.7 51.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -137.2 117.63 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 110.259 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -40.28 156.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.346 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.51 10.73 58.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 52.140000000000001 110.957 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.93 161.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.974 -0.85 . . . . 72.530000000000001 110.974 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -99.59 -176.32 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 72.439999999999998 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -111.64 39.55 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 75.040000000000006 109.606 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 mppt? -55.97 -166.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 74.099999999999994 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HMD3 ' A' ' 500' ' ' HEC . 23.6 m -38.44 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 74.510000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.75 152.1 18.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 64.540000000000006 110.957 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 168.66 24.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.95 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' HD23 ' A' ' 32' ' ' LEU . 14.3 t-20 -71.97 151.83 42.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 71.129999999999995 109.286 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 18' ' ' HIS . 9.7 mt -116.72 -39.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 64.040000000000006 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -40.57 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.150000000000006 109.548 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 95.14 49.13 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 44.340000000000003 111.052 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.872 HD11 HMA3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -100.9 -21.57 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 0.805 . . . . 52.039999999999999 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -80.79 100.36 8.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 110.987 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.74 28.56 2.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -143.57 156.95 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 72.109999999999999 110.295 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.866 ' HE2' HD11 ' A' ' 58' ' ' ILE . 7.3 ttmm -81.65 172.66 13.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 74.329999999999998 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' NE1' ' A' ' 59' ' ' TRP . 31.2 p -91.14 124.51 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 70.109999999999999 110.293 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 101.54 17.05 22.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.29 42.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 0.821 . . . . 73.109999999999999 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.777 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -132.66 97.47 17.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 52.039999999999999 109.368 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 161.47 38.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.409999999999997 111.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.41 25.45 70.0 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.989 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.5 t80 -122.29 164.94 17.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 65.109999999999999 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 m -113.06 61.99 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 63.25 110.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -56.23 -169.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 74.439999999999998 111.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 79' ' ' LYS . 37.9 p -110.88 157.27 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 75.510000000000005 110.393 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.36 62.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.109999999999999 109.251 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.1 -15.31 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 71.230000000000004 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 48' ' ' TYR . 17.7 t-20 -68.3 -59.13 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -52.07 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.329999999999998 109.313 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.42 -36.9 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.232 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 75.5 109.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 73.58 79.09 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 111.044 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.8 pp -154.86 178.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 51.130000000000003 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.866 HD11 ' HE2' ' A' ' 39' ' ' LYS . 19.8 mm -123.5 103.62 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 60.140000000000001 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 35.5 m95 -52.14 155.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 71.340000000000003 108.023 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.991 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.23 -133.86 1.85 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 65.120000000000005 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.67 -42.26 11.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 74.519999999999996 110.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LEU . 15.5 m-20 -89.36 -59.4 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 52.340000000000003 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.501 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.5 p -38.84 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.519999999999996 110.448 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 60' ' ' GLY . 37.9 mt -88.28 -52.68 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.337 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.493 ' HA ' HH21 ' A' ' 91' ' ' ARG . 13.7 mtp -53.39 -19.86 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 54.130000000000003 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -99.75 -18.75 17.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD2' ' CH2' ' A' ' 59' ' ' TRP . 3.0 t80 -98.82 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.140000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.771 HD13 HMB2 ' A' ' 500' ' ' HEC . 4.9 mt -43.34 -49.09 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 71.150000000000006 109.238 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.6 pt-20 -45.6 -43.89 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.35 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.0 m120 -153.09 89.89 3.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 64.010000000000005 109.284 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 62.329999999999998 111.015 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 73' ' ' LYS . 33.4 pttt -40.26 -30.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' PRO . 6.9 mptt -86.53 -66.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.420000000000002 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 4.9 t80 -38.36 -56.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.128 . . . . 75.439999999999998 110.969 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 78' ' ' THR . 12.9 mt -115.82 88.86 22.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 71.299999999999997 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.85 -8.0 6.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 72.129999999999995 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -65.09 149.64 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 72.540000000000006 110.416 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 1.1 mtmp? -87.03 -21.45 26.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 74.450000000000003 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.514 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 4.2 ttp -48.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' LYS . 31.2 mm -66.02 89.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 3.8 t80 -148.36 141.84 25.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 75.010000000000005 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.69 -19.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 54.109999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.87 167.79 43.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 70.239999999999995 111.032 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.3 mp -102.41 143.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 62.43 109.372 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 1.9 mppt? -105.84 -46.99 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 65.040000000000006 109.378 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -52.29 111.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 74.319999999999993 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -57.75 -41.9 82.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 62.350000000000001 109.328 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.97 -54.81 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.38 -22.86 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.099999999999994 110.269 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.966 ' NH2' HD11 ' A' ' 95' ' ' ILE . 7.6 mmm180 -77.27 -21.68 53.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 72.510000000000005 110.311 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.84 -14.03 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 44.100000000000001 109.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.89 -32.94 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.275 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.7 tm? -68.42 -14.39 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.049999999999997 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.966 HD11 ' NH2' ' A' ' 91' ' ' ARG . 61.0 mt -95.26 -50.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.114 . . . . 64.129999999999995 109.267 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.52 -56.4 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 53.109999999999999 109.23 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 10.8 t80 -48.24 -46.5 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.998 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.073 HD21 ' CE2' ' A' ' 10' ' ' PHE . 78.7 mt -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 71.329999999999998 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' CD ' HG22 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -66.06 -11.78 50.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 73.109999999999999 109.288 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.06 -4.02 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.409999999999997 109.226 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -100.52 -77.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -65.54 -10.41 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 71.340000000000003 110.398 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 11.2 t30 -76.02 -33.89 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.299999999999997 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 64.019999999999996 110.354 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.872 HMA3 HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 73.120000000000005 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -104.54 124.37 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 74.019999999999996 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.93 -15.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 72.340000000000003 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.9 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 73.219999999999999 110.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HB2' ' HZ2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.87 -59.35 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 75.340000000000003 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.916 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.05 -21.64 4.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 15.2 tttt -82.29 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 72.230000000000004 109.294 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' LYS . 46.0 mtmt -38.86 -31.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.916 HD12 ' HA2' ' A' ' 6' ' ' GLY . 21.3 mt -66.2 -67.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.884 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.8 t80 -58.42 -16.54 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 111.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.95 -43.64 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.258 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.9 mtm -133.33 38.87 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 111.062 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -128.48 -63.95 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 61.539999999999999 109.314 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.91 -35.95 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.310000000000002 108.346 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.1 t -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 53.25 110.039 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -45.69 -42.52 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 64.140000000000001 110.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.08 -57.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 61.520000000000003 108.382 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 89.4 m-70 -55.57 172.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.430000000000007 109.589 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.68 110.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 74.25 110.424 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.1 m -84.72 52.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 73.299999999999997 109.334 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 pt-20 -133.15 119.46 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.9 ttpp -40.53 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 31.18 8.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 52.140000000000001 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -169.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.009 -0.836 . . . . 72.530000000000001 111.009 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -113.74 -177.91 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 72.439999999999998 109.231 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -116.77 42.8 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.040000000000006 109.643 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.7 mmmt -60.06 -164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.099999999999994 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.497 ' O ' HMD3 ' A' ' 500' ' ' HEC . 87.8 m -38.39 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.374 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.32 156.93 21.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 110.986 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.98 170.51 20.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 74.540000000000006 111.027 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.43 146.95 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -128.75 74.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 64.040000000000006 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 47.3 t-80 -129.3 36.37 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.534 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 141.92 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 44.340000000000003 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD12 ' HD3' ' A' ' 38' ' ' ARG . 24.6 tp -87.27 -58.99 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 52.039999999999999 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.87 ' CE2' HD12 ' A' ' 64' ' ' LEU . 77.4 m-85 -37.76 118.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.409999999999997 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.63 3.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 110.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HD3' HD12 ' A' ' 35' ' ' LEU . 5.6 ptm180 -93.97 175.36 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 0.721 . . . . 72.109999999999999 110.276 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 5.9 mtpm? -99.27 -172.77 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 74.329999999999998 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.913 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.2 p -91.74 132.27 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 70.109999999999999 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 95.0 35.17 5.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HH21 ' A' ' 38' ' ' ARG . 28.4 mm-40 -95.03 -50.55 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 73.109999999999999 110.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.5 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.039999999999999 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -74.95 133.39 16.61 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.434 1.755 . . . . 73.409999999999997 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.53 24.1 34.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -116.89 159.83 21.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 65.109999999999999 111.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 42.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 63.25 109.984 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.2 m-85 -37.74 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.997 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.726 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 46.5 p -69.34 152.15 45.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 75.510000000000005 110.407 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.05 58.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 62.109999999999999 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -95.44 -13.53 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 109.339 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -46.29 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 109.343 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.33 22.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -40.55 -62.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 74.049999999999997 109.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.582 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 3.9 mmmm -49.81 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 75.5 109.251 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 77.47 94.93 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 110.995 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -156.61 176.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 51.130000000000003 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.814 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -99.58 125.75 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 60.140000000000001 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.913 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.3 m95 -77.28 128.6 34.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.17 -137.87 2.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 65.120000000000005 111.02 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.26 -36.15 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -82.62 -65.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 52.340000000000003 109.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.814 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.6 p -39.46 -29.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 72.519999999999996 110.422 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.87 HD12 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -84.93 -55.05 4.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 64.340000000000003 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 ttm -53.85 -19.97 5.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 54.130000000000003 111.006 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -97.51 -19.47 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.140000000000001 110.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 57.9 t80 -87.94 -57.85 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 71.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.826 HD12 ' CD1' ' A' ' 85' ' ' ILE . 1.2 mm? -40.59 -53.72 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 71.150000000000006 109.251 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 12.7 pt-20 -39.21 -44.51 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 37.2 m-20 -158.17 93.75 2.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 64.010000000000005 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.01 -12.97 21.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 62.329999999999998 111.014 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -82.12 -43.33 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -69.16 -65.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 3.7 t80 -37.86 -53.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 75.439999999999998 110.954 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.772 ' O ' HG22 ' A' ' 78' ' ' THR . 9.6 mt -115.03 91.22 26.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.96 114.54 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 71.299999999999997 111.089 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -16.09 10.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 72.129999999999995 111.024 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.3 t -50.73 170.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 72.540000000000006 110.344 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.726 ' NZ ' HG23 ' A' ' 49' ' ' THR . 21.1 pttm -121.54 11.82 10.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 74.450000000000003 109.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.504 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 8.2 ttt -75.32 100.81 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 72.200000000000003 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.92 90.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 72.319999999999993 109.322 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -149.25 153.58 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 75.010000000000005 111.029 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.56 -24.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 54.109999999999999 109.278 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.22 178.9 49.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 70.239999999999995 111.032 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 68' ' ' LEU . 4.2 mp -116.24 134.75 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 0.72 . . . . 62.43 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -46.38 8.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 65.040000000000006 109.264 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.32 128.31 36.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.319999999999993 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.46 -55.66 6.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 62.350000000000001 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 32.2 mt-10 -47.15 -45.71 22.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 110.319 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.89 -46.82 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.606 1.191 . . . . 73.099999999999994 110.326 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 95' ' ' ILE . 76.2 mtm-85 -72.51 -8.48 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.510000000000005 110.219 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -82.8 -21.38 34.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.168 . . . . 44.100000000000001 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -99.22 -53.58 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 61.210000000000001 109.236 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 9' ' ' ILE . 29.7 tp -45.54 -36.79 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.3 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' ARG . 95.9 mt -75.96 -40.49 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 64.129999999999995 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -55.49 -53.49 55.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 53.109999999999999 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.8 t80 -49.09 -46.55 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.498 1.124 . . . . 73.340000000000003 110.963 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 10' ' ' PHE . 79.7 mt -58.33 -40.58 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.349 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 mptm? -65.64 -11.77 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.325 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -115.93 -7.71 11.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 72.409999999999997 109.246 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -100.08 -75.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -61.67 -13.54 23.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 110.425 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -82.13 -50.93 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 72.299999999999997 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 64.019999999999996 110.31 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.799 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 73.120000000000005 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.25 127.41 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 74.019999999999996 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 97' ' ' TYR . 2.1 p -97.51 -25.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.340000000000003 109.337 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.59 -44.5 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 73.219999999999999 110.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.42 -53.55 13.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.398 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -54.98 -18.06 10.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 26.0 tttt -81.46 -61.87 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 72.230000000000004 109.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.06 -34.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 71.230000000000004 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 6' ' ' GLY . 11.7 mt -66.94 -70.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 74.430000000000007 109.276 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -49.25 -23.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 110.942 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.86 -41.61 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm -129.09 34.49 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -123.84 -75.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 61.539999999999999 109.327 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.54 -26.48 17.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.310000000000002 108.341 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.4 t -44.15 -34.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 53.25 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -39.32 -46.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 64.140000000000001 110.286 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -56.03 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 19' ' ' THR . 66.3 m-70 -61.41 167.95 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 64.430000000000007 109.585 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.86 115.97 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 74.25 110.459 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 10' ' ' PHE . 15.9 m -87.1 47.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -145.67 111.8 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.276 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -39.91 127.87 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 74.129999999999995 109.323 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.93 17.98 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 111.032 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.03 -165.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.032 -0.827 . . . . 72.530000000000001 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -132.25 168.03 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 72.439999999999998 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.717 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.6 m-70 -112.0 29.92 7.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 75.040000000000006 109.516 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -46.44 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 74.099999999999994 109.346 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.0 m -114.2 -29.23 7.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 74.510000000000005 110.37 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.18 151.69 18.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 64.540000000000006 110.955 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.89 136.9 21.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.987 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 5.6 t-20 -51.47 160.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.252 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 96.3 mt -132.57 91.11 2.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 64.040000000000006 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 1.5 t-80 -134.09 79.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 109.613 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.49 55.81 1.87 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 110.982 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 59' ' ' TRP . 23.6 tp -80.9 -69.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 52.039999999999999 109.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.732 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.9 m-85 -37.68 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 73.409999999999997 111.014 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.41 -6.21 5.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.606 1.192 . . . . 72.030000000000001 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 42' ' ' GLN . 10.1 ptm180 -122.84 151.71 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 0.704 . . . . 72.109999999999999 110.329 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -70.63 -178.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 74.329999999999998 109.241 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -99.24 132.68 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.109999999999999 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 106.12 6.91 36.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 74.219999999999999 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HB3' HH21 ' A' ' 38' ' ' ARG . 5.2 mm-40 -68.14 -39.99 82.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.87 100.22 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 52.039999999999999 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 164.56 33.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 73.409999999999997 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.32 20.71 5.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.717 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 7.5 t80 -109.49 169.97 8.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 0.725 . . . . 65.109999999999999 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 70.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.135 . . . . 63.25 110.059 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.846 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 5.9 m-85 -59.51 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 HG23 HBD2 ' A' ' 500' ' ' HEC . 18.5 p -111.82 154.79 24.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 75.510000000000005 110.392 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.58 -12.69 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 62.109999999999999 109.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.78 -9.02 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.26 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 74.349999999999994 109.344 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -17.29 64.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.25 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.9 -66.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 74.049999999999997 109.353 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 12.9 mmmm -43.45 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.5 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 42.84 8.66 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 73.030000000000001 110.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.758 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -100.85 179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.585 0.815 . . . . 51.130000000000003 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 57' ' ' ILE . 8.9 mm -108.14 103.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 60.140000000000001 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 40' ' ' THR . 58.4 m95 -51.92 140.11 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.340000000000003 108.073 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -162.06 -142.35 3.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.93 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.71 -27.04 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 74.519999999999996 110.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' LEU . 6.1 m-20 -92.12 -63.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 52.340000000000003 109.332 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 57' ' ' ILE . 3.2 p -39.8 -29.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 110.424 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CE2' ' A' ' 36' ' ' PHE . 10.9 mt -83.81 -61.55 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.340000000000003 109.273 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LEU . 3.6 ttm -37.79 -35.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.130000000000003 111.016 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -46.29 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 55.2 t80 -64.03 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 110.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD21 HMB2 ' A' ' 500' ' ' HEC . 76.6 mt -45.63 -44.14 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -57.46 -37.12 72.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.275 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CD ' ' A' ' 72' ' ' LYS . 5.0 t-20 -162.7 84.49 1.5 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 64.010000000000005 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.782 . . . . 62.329999999999998 111.062 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CD ' ' OD1' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -40.56 -34.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CD ' ' HG2' ' A' ' 72' ' ' LYS . 2.1 mptp? -84.96 -62.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 6.4 t80 -37.67 -57.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 111.048 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' ALA . 4.4 mt -114.91 91.6 27.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.510000000000005 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.401 1.737 . . . . 71.299999999999997 111.015 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.02 -0.1 7.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.2 t -69.06 127.74 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 0.719 . . . . 72.540000000000006 110.376 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.537 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 12.2 ptpt -68.78 -16.2 63.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.450000000000003 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.5 ttt -63.55 112.55 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.200000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -93.6 108.77 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.268 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 14.5 t80 -147.76 113.58 5.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 75.010000000000005 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -52.67 -34.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 54.109999999999999 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.8 156.7 29.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 70.239999999999995 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mt -96.7 140.58 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 0.79 . . . . 62.43 109.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -86.08 -74.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 65.040000000000006 109.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.19 146.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 74.319999999999993 109.308 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -40.58 18.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 62.350000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.78 -47.09 77.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 70.430000000000007 110.308 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.06 -36.84 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.099999999999994 110.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.1 mtm-85 -79.5 -35.45 40.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 72.510000000000005 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.89 -20.74 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 44.100000000000001 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -89.37 -53.89 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 61.210000000000001 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 9' ' ' ILE . 31.4 tp -52.17 -36.62 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 74.049999999999997 109.282 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 98' ' ' LEU . 91.2 mt -73.16 -51.24 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 64.129999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -42.49 -59.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 53.109999999999999 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.624 ' OH ' HG21 ' A' ' 20' ' ' VAL . 9.1 t80 -42.71 -46.66 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 10' ' ' PHE . 25.0 mt -58.63 -39.67 81.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 71.329999999999998 109.325 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 mptp? -65.34 -12.01 47.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.109999999999999 109.337 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.35 -7.4 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 109.279 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -103.51 -75.69 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.540000000000006 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -61.84 -13.43 24.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 110.402 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.2 t-20 -81.35 -24.19 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.299999999999997 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 64.019999999999996 110.339 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 73.120000000000005 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -101.1 121.46 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 74.019999999999996 109.264 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 97' ' ' TYR . 79.7 t -79.84 -49.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -46.6 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -49.69 -60.87 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.340000000000003 109.32 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.842 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.87 -26.73 0.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.533 1.145 . . . . 73.129999999999995 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -71.06 -58.44 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -54.9 -39.1 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 71.230000000000004 109.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.842 HD12 ' HA2' ' A' ' 6' ' ' GLY . 22.4 mt -59.3 -73.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.430000000000007 109.241 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE1' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -42.28 -47.35 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 111.047 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 12.7 mt -40.6 -43.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 64.230000000000004 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 ttp -133.1 40.17 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 111.03 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -134.02 -52.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 2.5 m -125.78 -46.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 4.3 p -39.09 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 53.25 109.953 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 14' ' ' CYS . 19.7 mm100 -54.71 -50.62 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.140000000000001 110.279 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' THR . 83.8 m -91.88 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 61.520000000000003 108.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.713 ' O ' HG23 ' A' ' 19' ' ' THR . 72.7 m-70 -71.96 -177.33 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 64.430000000000007 109.545 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' HIS . 1.8 p -160.41 108.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 74.25 110.41 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.889 HG13 ' CE2' ' A' ' 10' ' ' PHE . 33.1 m -84.08 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 109.271 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 8.5 pt-20 -138.16 131.11 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -40.33 133.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.88 93.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 52.140000000000001 111.017 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.005 -0.838 . . . . 72.530000000000001 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -125.7 147.8 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.439999999999998 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.7 m-70 -92.3 28.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.040000000000006 109.575 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -46.1 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.529 ' O ' HMD3 ' A' ' 500' ' ' HEC . 20.1 m -105.18 -29.56 10.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 110.382 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.9 154.41 20.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.01 141.36 26.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.827 . . . . 74.540000000000006 111.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' THR . 6.4 t-20 -51.12 110.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 30.3 mt -68.65 -45.18 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 64.040000000000006 109.309 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 102' ' ' THR . 4.0 t-80 -39.72 108.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 109.556 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.79 29.18 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 44.340000000000003 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 32' ' ' LEU . 6.2 tp -95.51 -68.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 52.039999999999999 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 92.1 m-85 -37.29 106.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 73.409999999999997 111.106 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.59 5.69 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.994 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.552 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.2 ptm180 -137.53 144.13 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 72.109999999999999 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 mptt -60.55 -170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.854 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -103.47 130.81 50.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 70.109999999999999 110.409 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 103.68 13.11 28.7 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.6 1.187 . . . . 74.219999999999999 110.972 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' HH21 ' A' ' 38' ' ' ARG . 1.4 mp0 -81.88 -39.29 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 73.109999999999999 110.231 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.51 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.05 160.45 39.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.811 . . . . 73.409999999999997 111.019 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.16 21.13 55.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 8.9 t80 -115.0 170.61 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 65.109999999999999 110.978 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -122.96 62.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 63.25 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.852 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.6 m-85 -53.24 -170.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 111.068 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.501 HG22 ' NZ ' ' A' ' 79' ' ' LYS . 58.0 p -112.09 155.73 23.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 75.510000000000005 110.334 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -12.0 47.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 62.109999999999999 109.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -99.3 -8.29 25.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.326 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.6 t-20 -81.52 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -16.31 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 72.329999999999998 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -50.0 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 74.049999999999997 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.649 ' NZ ' ' CE1' ' A' ' 74' ' ' TYR . 11.9 mmmm -52.67 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 75.5 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 50.13 3.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 73.030000000000001 110.967 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 40' ' ' THR . 1.3 pp -111.28 150.63 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 51.130000000000003 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.603 ' O ' HG21 ' A' ' 63' ' ' THR . 1.8 mt -73.7 118.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 60.140000000000001 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.854 ' NE1' HG22 ' A' ' 40' ' ' THR . 40.3 m95 -68.85 144.29 54.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 108.011 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -167.56 -143.86 3.94 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' A' ' 99' ' ' LYS . 2.3 mp0 -88.83 -22.56 23.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 0.801 . . . . 74.519999999999996 110.313 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.22 -64.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 52.340000000000003 109.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.603 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 110.376 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 60' ' ' GLY . 50.0 mt -70.85 -70.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 mtp -38.07 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 54.130000000000003 111.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.5 tt0 -81.93 -50.16 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 110.363 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.74 ' CE1' HD12 ' A' ' 75' ' ' ILE . 47.1 t80 -62.88 -57.76 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 110.968 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.67 -49.05 3.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 71.150000000000006 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -47.18 -44.35 22.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 110.343 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' TYR . 5.4 p30 -153.13 88.8 3.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.299 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' O ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo -74.98 -10.68 21.35 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.518 1.799 . . . . 62.329999999999998 111.028 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -81.34 -62.99 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -57.27 -64.2 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 73.420000000000002 109.316 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.649 ' CE1' ' NZ ' ' A' ' 55' ' ' LYS . 2.3 t80 -42.81 -36.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 75.439999999999998 110.984 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' A' ' 67' ' ' TYR . 6.0 mt -132.21 87.36 43.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.510000000000005 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.99 106.96 2.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 71.299999999999997 110.983 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.94 -1.06 7.85 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.148 . . . . 72.129999999999995 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 71' ' ' PRO . 10.0 t -71.51 145.51 49.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 72.540000000000006 110.373 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.549 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -93.84 -14.66 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.284 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.489 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 10.4 ttt -53.0 104.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 72.200000000000003 111.042 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.3 mm -93.28 74.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 72.319999999999993 109.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 13.5 t80 -102.93 124.45 48.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.96 -22.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.109999999999999 109.32 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.56 168.77 44.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.596 1.185 . . . . 70.239999999999995 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 91' ' ' ARG . 44.5 mt -121.02 134.34 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 62.43 109.385 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -96.26 -50.85 4.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 65.040000000000006 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -63.59 147.76 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -80.66 -50.14 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 62.350000000000001 109.371 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -50.8 -40.54 55.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 70.430000000000007 110.282 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -59.43 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 73.099999999999994 110.336 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 85' ' ' ILE . 81.9 mtm-85 -63.83 -34.94 79.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 72.510000000000005 110.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.66 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 44.100000000000001 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.9 m-20 -92.63 -60.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 61.210000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.484 HD23 ' CBB' ' A' ' 500' ' ' HEC . 5.7 tp -47.18 -46.21 23.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.2 mt -59.31 -32.95 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 109.225 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.74 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 53.109999999999999 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 7' ' ' LYS . 9.2 t80 -38.33 -37.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 73.340000000000003 111.031 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 102' ' ' THR . 16.5 mt -67.96 -51.26 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 71.329999999999998 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.594 ' HD3' HG22 ' A' ' 95' ' ' ILE . 1.1 mptm? -61.74 -14.81 35.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.109999999999999 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -105.64 -15.23 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.409999999999997 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -96.02 -75.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 109.264 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.2 t -50.79 -21.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.5 t-20 -86.51 -30.92 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 72.299999999999997 109.252 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ALA . 4.5 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 64.019999999999996 110.256 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.791 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.087 -0.805 . . . . 73.120000000000005 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 169.66 6.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 74.019999999999996 109.339 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.4 p -113.14 -37.93 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 72.340000000000003 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.11 -48.28 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 73.219999999999999 110.302 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -60.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.254 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.932 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -58.77 -15.23 26.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.135 . . . . 73.129999999999995 111.0 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 13.9 tttm -82.53 -53.51 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 72.230000000000004 109.248 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -54.32 -32.76 57.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.268 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.932 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.1 mt -68.91 -74.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.357 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.933 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.4 t80 -45.47 -30.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 75.109999999999999 110.976 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 7' ' ' LYS . 24.6 mt -59.7 -43.55 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 64.230000000000004 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 11' ' ' ILE . 43.2 mtm -128.5 41.24 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 111.017 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -134.07 -78.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 61.539999999999999 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.17 -25.4 27.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -52.0 -23.86 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 53.25 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.9 -26.96 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.59 -61.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 61.520000000000003 108.266 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 19' ' ' THR . 65.1 m-70 -57.4 163.02 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.548 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' HIS . 3.1 p -159.48 104.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 74.25 110.408 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG13 ' CE1' ' A' ' 10' ' ' PHE . 30.4 m -66.6 -10.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 73.299999999999997 109.325 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.58 115.77 21.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.5 tptt -46.58 124.26 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 74.129999999999995 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 115.32 5.74 18.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 52.140000000000001 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.39 171.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 72.530000000000001 111.025 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -118.18 153.57 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.439999999999998 109.304 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.751 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 2.0 m-70 -92.23 28.07 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 109.552 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.15 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 74.099999999999994 109.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.626 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.3 m -115.69 -33.0 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 74.510000000000005 110.373 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' HA2' HMD3 ' A' ' 500' ' ' HEC . . . -123.92 150.05 16.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 64.540000000000006 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -74.94 135.23 18.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.538 1.81 . . . . 74.540000000000006 110.976 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 5.3 t-20 -56.81 128.26 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.34 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.24 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 64.040000000000006 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 6.8 t-80 50.86 56.68 7.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 74.150000000000006 109.577 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 93.81 83.61 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.596 1.185 . . . . 44.340000000000003 110.941 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.974 HD21 HMA3 ' A' ' 500' ' ' HEC . 4.1 tp -101.08 -20.48 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 52.039999999999999 109.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 69.1 m-85 -83.56 120.19 25.65 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 111.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.67 12.03 27.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 111.049 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HE ' HD12 ' A' ' 35' ' ' LEU . 18.6 ptt180 -141.43 144.44 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 72.109999999999999 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 58' ' ' ILE . 54.6 mttm -68.81 -176.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.246 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.83 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -97.85 158.98 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 70.109999999999999 110.443 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.71 38.07 57.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 74.219999999999999 110.991 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -95.7 -39.95 9.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 0.771 . . . . 73.109999999999999 110.375 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.29 101.26 0.23 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 52.039999999999999 109.259 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.21 41.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.499 1.789 . . . . 73.409999999999997 110.96 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.1 20.6 58.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 111.01 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 11.3 t80 -107.28 170.29 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 65.109999999999999 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -121.01 63.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 63.25 109.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.2 m-85 -54.07 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 74.439999999999998 111.025 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.807 HG23 ' HD2' ' A' ' 79' ' ' LYS . 11.1 p -114.31 154.33 28.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 110.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 62.109999999999999 109.337 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.1 -13.44 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.328 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -76.35 -65.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.349999999999994 109.267 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -19.58 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 72.329999999999998 109.282 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.36 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.049999999999997 109.315 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HD3' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -43.41 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 75.5 109.261 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.09 49.18 22.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' THR . 1.7 pp -116.08 170.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.413 0.714 . . . . 51.130000000000003 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 ' CG ' ' A' ' 39' ' ' LYS . 5.7 mt -93.9 104.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 60.140000000000001 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.83 ' NE1' HG22 ' A' ' 40' ' ' THR . 48.7 m95 -52.67 161.52 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 71.340000000000003 107.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 175.19 -142.89 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 65.120000000000005 110.968 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.3 -36.21 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 74.519999999999996 110.295 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -83.86 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 52.340000000000003 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -40.13 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 72.519999999999996 110.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 16.8 mt -79.58 -61.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 64.340000000000003 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . 7.0 ttm -37.77 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 54.130000000000003 111.044 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 tp10 -81.25 -49.11 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.627 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 37.2 t80 -66.66 -59.28 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 111.053 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.59 -55.46 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.063 . . . . 71.150000000000006 109.243 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.94 -48.74 31.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 110.308 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' TYR . 8.3 m120 -145.97 89.88 5.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 64.010000000000005 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.92 -29.62 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 62.329999999999998 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -65.37 -56.03 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -74.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 73.420000000000002 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 33.1 t80 -37.78 -40.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 75.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 1.6 mt -117.15 85.19 18.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.510000000000005 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.03 102.81 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 71.299999999999997 111.015 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.8 10.13 10.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 72.129999999999995 111.041 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.417 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 15.0 t -66.9 148.0 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 72.540000000000006 110.38 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.807 ' HD2' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -95.04 1.3 55.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.448 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.1 ttt -86.62 119.17 26.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 72.200000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -87.76 108.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 72.319999999999993 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -168.83 112.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 111.044 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.92 -37.55 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 54.109999999999999 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.59 173.68 19.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 70.239999999999995 111.038 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.3 155.9 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.793 . . . . 62.43 109.265 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.95 -45.39 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 65.040000000000006 109.31 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.71 107.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.319999999999993 109.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -61.01 -42.29 98.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.248 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -63.92 -19.93 65.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 70.430000000000007 110.339 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -84.65 -49.96 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -55.94 -53.43 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 110.329 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.13 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 44.100000000000001 109.236 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -80.45 -49.02 11.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.308 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CBB' ' A' ' 500' ' ' HEC . 15.1 tp -63.64 -26.54 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.4 mt -81.53 -42.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 109.228 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -56.97 -56.71 18.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 53.109999999999999 109.26 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 8.5 t80 -43.29 -45.65 5.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 111.002 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 10' ' ' PHE . 39.8 mt -60.28 -40.07 89.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.62 -13.35 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.109999999999999 109.345 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -113.67 -12.0 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.409999999999997 109.312 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.35 -73.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 73.540000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.87 HG22 ' O ' ' A' ' 98' ' ' LEU . 2.1 t -59.37 -25.63 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 110.39 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 10.8 t30 -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 72.299999999999997 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 64.019999999999996 110.313 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.974 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.02 -0.832 . . . . 73.120000000000005 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 4.1 m-20 -50.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 15.0 p -56.89 -19.99 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 72.340000000000003 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 7' ' ' LYS . 5.3 mm-40 -74.56 -55.42 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.32 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' LYS . 41.7 mmtt -57.44 -71.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.340000000000003 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 1.007 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -40.11 -28.51 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.464 1.103 . . . . 73.129999999999995 110.984 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.17 -62.92 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 72.230000000000004 109.355 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -47.11 -31.31 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.230000000000004 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.007 HD12 ' HA2' ' A' ' 6' ' ' GLY . 18.3 mt -68.1 -74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.388 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.91 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.1 t80 -48.88 -22.36 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -65.61 -41.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 64.230000000000004 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.29 31.09 4.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 74.430000000000007 111.035 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ILE . 10.8 tppt? -119.63 -72.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 61.539999999999999 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' HIS . 1.6 m -97.3 -26.9 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 108.239 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.1 t -39.56 -39.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 53.25 110.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -43.06 -49.45 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 110.329 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 m -106.32 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 32' ' ' LEU . 76.0 m-70 -70.47 166.05 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 64.430000000000007 109.641 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 18' ' ' HIS . 25.1 p -156.96 117.08 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 74.25 110.442 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.4 m -81.58 54.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 73.299999999999997 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -132.83 112.79 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.7 tppp? -40.48 105.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.232 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 42.77 3.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.956 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.51 -153.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 72.530000000000001 111.027 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -132.64 153.82 50.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 72.439999999999998 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.617 ' CG ' ' CD1' ' A' ' 46' ' ' TYR . 4.2 m-70 -92.37 31.97 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 109.628 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -46.51 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 74.099999999999994 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' HMD3 ' A' ' 500' ' ' HEC . 94.2 m -103.6 -18.68 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 110.358 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.04 154.02 24.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 64.540000000000006 111.006 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.4 Cg_endo -75.02 142.93 28.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 74.540000000000006 111.028 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.402 ' C ' HD23 ' A' ' 32' ' ' LEU . 10.4 t-20 -56.17 145.12 27.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 71.129999999999995 109.285 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 18' ' ' HIS . 2.8 mt -102.11 -51.97 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 64.040000000000006 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.6 t-80 -40.02 97.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.150000000000006 109.599 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 107.35 27.38 5.31 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.545 1.153 . . . . 44.340000000000003 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 59' ' ' TRP . 3.5 tp -100.49 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 52.039999999999999 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -37.85 96.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.409999999999997 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.84 -6.61 5.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.393 1.058 . . . . 72.030000000000001 111.02 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.733 HH21 ' HB3' ' A' ' 42' ' ' GLN . 9.9 ptm180 -122.93 145.61 48.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 72.109999999999999 110.356 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' CD1' ' A' ' 58' ' ' ILE . 15.6 mtmm -63.07 -171.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.251 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.3 p -103.06 132.15 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 70.109999999999999 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 102.27 14.14 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 111.022 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.733 ' HB3' HH21 ' A' ' 38' ' ' ARG . 21.3 mm-40 -78.61 -41.51 31.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.244 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.826 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.65 100.03 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 52.039999999999999 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.9 160.07 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.409 1.741 . . . . 73.409999999999997 111.032 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.41 17.28 18.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 73.439999999999998 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.617 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 10.7 t80 -106.8 167.22 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 65.109999999999999 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.91 69.22 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 63.25 110.058 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.826 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 3.4 m-85 -61.11 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -114.58 155.32 26.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 75.510000000000005 110.435 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.33 -14.9 54.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 62.109999999999999 109.312 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -95.36 -16.77 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 71.230000000000004 109.384 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 7.8 t-20 -73.64 -63.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -21.0 63.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -53.26 -61.24 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.5 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.86 42.52 52.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.95 HD13 HG21 ' A' ' 63' ' ' THR . 1.8 pp -113.09 169.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 51.130000000000003 109.261 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 39' ' ' LYS . 3.6 mm -94.46 101.08 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 60.140000000000001 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.8 ' NE1' HG22 ' A' ' 40' ' ' THR . 29.9 m95 -46.23 160.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 71.340000000000003 108.017 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 171.93 -147.9 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 110.987 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 2.0 mp0 -89.78 -17.61 27.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 74.519999999999996 110.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.94 -67.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 52.340000000000003 109.291 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.95 HG21 HD13 ' A' ' 57' ' ' ILE . 2.4 p -42.19 -29.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 72.519999999999996 110.413 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 60' ' ' GLY . 79.0 mt -78.85 -65.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 64.340000000000003 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.909 ' CG ' HH21 ' A' ' 91' ' ' ARG . 3.2 ttm -38.15 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 54.130000000000003 111.041 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LEU . 58.7 tt0 -89.72 -47.12 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.140000000000001 110.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.4 t80 -63.84 -60.43 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.140000000000001 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -40.43 -52.23 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 71.150000000000006 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -38.98 -58.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.21 97.6 5.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.010000000000005 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.96 -19.98 17.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 62.329999999999998 110.961 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.69 69.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -81.07 -74.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 73.420000000000002 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -38.22 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 75.439999999999998 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 67' ' ' TYR . 3.0 mm -116.85 85.86 18.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.291 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.486 1.782 . . . . 71.299999999999997 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.29 4.31 9.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.103 . . . . 72.129999999999995 111.062 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 127.52 33.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 72.540000000000006 110.418 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 6.2 pttt -77.34 -15.56 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 109.292 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.468 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 6.2 ttt -52.62 112.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 72.200000000000003 111.011 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -77.47 105.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 72.319999999999993 109.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CZ ' ' CBB' ' A' ' 500' ' ' HEC . 3.9 t80 -165.6 124.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 75.010000000000005 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.16 -17.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 54.109999999999999 109.314 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.75 165.12 34.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 70.239999999999995 111.037 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 90' ' ' GLU . 27.8 mt -107.4 118.39 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 62.43 109.331 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.86 -73.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 65.040000000000006 109.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.17 125.07 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.3 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -40.39 95.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.350000000000001 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.04 -33.62 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 70.430000000000007 110.35 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.611 ' HB3' HG21 ' A' ' 85' ' ' ILE . 38.0 mt-10 -68.79 -35.04 76.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 73.099999999999994 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.909 HH21 ' CG ' ' A' ' 65' ' ' MET . 8.1 mtp180 -83.89 -22.61 31.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 72.510000000000005 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -81.02 -15.6 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 44.100000000000001 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 4.1 t70 -105.58 -50.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.295 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.8 tt -55.35 -36.35 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 74.049999999999997 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.548 ' CG2' ' NZ ' ' A' ' 99' ' ' LYS . 74.6 mt -79.22 -44.12 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.129999999999995 109.351 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.86 -40.46 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 53.109999999999999 109.259 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.1 t80 -57.62 -45.67 85.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 73.340000000000003 110.976 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 10' ' ' PHE . 24.1 mt -57.72 -41.22 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 71.329999999999998 109.355 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.548 ' NZ ' ' CG2' ' A' ' 95' ' ' ILE . 5.1 mptt -62.63 -14.19 40.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 73.109999999999999 109.293 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -112.9 -13.31 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -92.14 -77.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.319 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -57.19 -17.03 9.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.340000000000003 110.404 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 12.6 t30 -77.24 -53.94 7.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.294 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.488 1.117 . . . . 64.019999999999996 110.303 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.804 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.976 -0.85 . . . . 73.120000000000005 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.73 147.4 33.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 0.749 . . . . 74.019999999999996 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.29 -22.8 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.58 -44.78 41.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 75.340000000000003 109.318 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -43.96 -26.76 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 73.129999999999995 110.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -69.45 -52.41 27.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.230000000000004 109.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -58.98 -38.18 78.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 71.230000000000004 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.7 mt -64.68 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.13 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -40.07 -46.35 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 75.109999999999999 111.009 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG22 ' HG3' ' A' ' 12' ' ' MET . 24.9 mt -43.69 -49.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.296 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.2 mtm -122.67 36.86 4.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.94 -51.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 61.539999999999999 109.283 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 16' ' ' GLN . 1.8 m -118.18 -51.16 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 108.261 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' PHE . 8.1 t -40.32 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 53.25 110.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 14' ' ' CYS . 10.9 mt-30 -39.53 -52.84 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 64.140000000000001 110.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.02 -49.87 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 19' ' ' THR . 89.1 m-70 -61.06 -178.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 64.430000000000007 109.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.83 110.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.25 110.446 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -85.07 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 73.299999999999997 109.345 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 1.2 pp20? -139.66 118.4 12.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -40.43 148.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 69.44 12.9 67.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.94 162.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.998 -0.841 . . . . 72.530000000000001 110.998 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -92.79 179.25 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.81 . . . . 72.439999999999998 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -109.88 40.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.040000000000006 109.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.3 mppt? -56.41 -166.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' HMD3 ' A' ' 500' ' ' HEC . 96.9 m -38.55 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.398 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.45 155.14 19.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 64.540000000000006 110.96 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.03 169.08 23.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 111.014 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.648 ' O ' HD23 ' A' ' 32' ' ' LEU . 11.8 t-20 -74.18 155.74 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 31' ' ' ASN . 78.3 mt -131.44 54.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.040000000000006 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CE1' ' CG ' ' A' ' 22' ' ' LYS . 57.4 t-80 -113.87 75.06 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' PHE . . . 114.24 13.66 9.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 44.340000000000003 110.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 59' ' ' TRP . 2.8 tp -43.33 -28.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 52.039999999999999 109.361 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLY . 84.1 m-85 -81.94 109.85 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.04 31.65 3.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 72.030000000000001 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 5.6 ptp180 -150.17 165.81 31.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 72.109999999999999 110.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.796 ' NZ ' HD11 ' A' ' 58' ' ' ILE . 3.2 ttmp? -102.23 167.73 9.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 109.26 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.74 HG22 ' NE1' ' A' ' 59' ' ' TRP . 34.5 p -74.28 176.19 6.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.109999999999999 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 42.77 34.84 1.97 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 29.0 mm-40 -95.09 -47.73 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 0.815 . . . . 73.109999999999999 110.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.49 99.98 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 73.409999999999997 111.005 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.43 23.4 51.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 111.048 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -114.2 159.62 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 65.109999999999999 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 m -103.43 57.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 63.25 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 m-85 -56.08 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 111.006 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.758 HG23 ' O1D' ' A' ' 500' ' ' HEC . 67.2 p -115.65 159.55 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.510000000000005 110.404 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.53 -14.82 59.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 62.109999999999999 109.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -97.66 -13.88 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.364 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -72.21 -35.28 68.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -88.42 -46.15 9.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.295 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' LYS . 54.1 m-20 -40.56 -48.16 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.049999999999997 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' HD13 ' A' ' 75' ' ' ILE . 2.0 tptt -49.04 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.5 109.355 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.05 82.0 0.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 40' ' ' THR . 1.7 pp -146.23 162.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.415 0.714 . . . . 51.130000000000003 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.796 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 28.3 mm -96.63 98.59 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 60.140000000000001 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.74 ' NE1' HG22 ' A' ' 40' ' ' THR . 73.0 m95 -48.01 168.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 71.340000000000003 107.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 169.9 -145.86 9.55 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 111.027 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -89.7 -23.42 21.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 74.519999999999996 110.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' THR . 2.1 m-20 -91.47 -66.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 52.340000000000003 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 58' ' ' ILE . 43.6 p -38.7 -32.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 110.371 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 60' ' ' GLY . 54.9 mt -73.45 -69.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 64.340000000000003 109.257 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.827 ' HG2' HH21 ' A' ' 91' ' ' ARG . 9.5 ttm -37.84 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 54.130000000000003 110.966 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 22.5 tp10 -81.18 -52.59 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 110.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 71' ' ' PRO . 7.7 t80 -58.23 -55.68 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 110.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.894 HD13 ' HB2' ' A' ' 91' ' ' ARG . 25.3 mt -40.91 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 71.150000000000006 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -39.73 -63.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 110.316 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -139.02 96.66 9.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 64.010000000000005 109.286 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 -54.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 62.329999999999998 110.983 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -43.83 -27.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 71' ' ' PRO . 69.5 mttt -84.39 -66.81 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 73.420000000000002 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LYS . 4.4 t80 -37.72 -50.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.495 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.4 mm -115.2 90.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.311 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.0 Cg_endo -75.12 108.92 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 71.299999999999997 110.956 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.93 10.65 18.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 110.993 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.495 ' HB ' HG22 ' A' ' 75' ' ' ILE . 12.4 t -74.01 174.78 8.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 72.540000000000006 110.378 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 49' ' ' THR . 2.8 mtmt -111.69 -15.81 13.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 74.450000000000003 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.492 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 5.4 ttt -62.52 107.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.200000000000003 111.028 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 mm -88.58 96.09 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 72.319999999999993 109.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -148.25 114.61 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 75.010000000000005 110.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.46 -18.23 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.1 -167.79 30.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 70.239999999999995 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 90' ' ' GLU . 61.6 mt -142.4 121.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 62.43 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 1.3 mptp? -77.65 -57.62 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 65.040000000000006 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -57.99 147.25 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.313 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 4.6 mptt -85.84 -55.1 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 62.350000000000001 109.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -37.67 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 70.430000000000007 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HB3' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -70.54 -82.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 73.099999999999994 110.299 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.894 ' HB2' HD13 ' A' ' 68' ' ' LEU . 13.4 ptt-85 -59.35 -51.44 69.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 72.510000000000005 110.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' LYS . . . -41.03 -32.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 44.100000000000001 109.256 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -87.88 -44.49 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 61.210000000000001 109.336 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' HD1' ' A' ' 10' ' ' PHE . 14.1 tp -48.67 -28.44 3.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 74.049999999999997 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG22 ' CE ' ' A' ' 99' ' ' LYS . 63.9 mt -75.11 -42.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 64.129999999999995 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.07 18.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 53.109999999999999 109.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.84 -44.18 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 110.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.13 HD21 ' CE1' ' A' ' 10' ' ' PHE . 45.9 mt -60.25 -35.86 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.557 ' CE ' HG22 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -66.53 -12.75 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 109.287 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -117.46 -6.15 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 72.409999999999997 109.241 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -102.2 -75.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 73.540000000000006 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -63.49 -12.1 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.465 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 23.6 t-20 -82.34 -43.41 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 72.299999999999997 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 64.019999999999996 110.339 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.795 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.055 -0.818 . . . . 73.120000000000005 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.25 106.96 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 74.019999999999996 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -70.67 -35.37 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.21 -51.75 62.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.219999999999999 110.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -64.33 -57.26 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.248 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.963 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.1 -20.81 4.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 73.129999999999995 111.064 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 61.9 tttt -82.93 -59.78 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 72.230000000000004 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -34.9 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 71.230000000000004 109.322 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.963 HD12 ' HA2' ' A' ' 6' ' ' GLY . 10.3 mt -65.23 -72.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 109.295 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE1' HG13 ' A' ' 20' ' ' VAL . 2.7 t80 -49.45 -22.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 mt -65.62 -43.22 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 64.230000000000004 109.273 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.1 ttp -132.91 42.38 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.430000000000007 111.005 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -60.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.325 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.11 -37.14 7.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 73.310000000000002 108.365 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 1.8 t -41.13 -31.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 53.25 109.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -43.78 -50.59 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.304 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -51.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.520000000000003 108.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CE1' HD21 ' A' ' 32' ' ' LEU . 72.3 m-70 -65.84 169.01 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.430000000000007 109.613 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.04 109.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.25 110.407 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.055 HG13 ' CE1' ' A' ' 10' ' ' PHE . 17.8 m -81.24 54.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -132.91 124.81 28.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 73.450000000000003 110.277 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.603 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 2.0 tmtt? -40.18 141.19 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 50.57 46.22 46.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 52.140000000000001 110.992 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -58.85 -151.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 72.530000000000001 110.95 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.651 ' HZ3' ' HE2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -124.36 150.82 45.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.77 . . . . 72.439999999999998 109.288 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.7 m-70 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.040000000000006 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE2' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.92 -154.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.335 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HMD3 ' A' ' 500' ' ' HEC . 89.2 m -43.87 -26.5 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 74.510000000000005 110.401 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -134.07 155.2 21.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 111.058 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' A' ' 18' ' ' HIS . 18.3 Cg_endo -75.0 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 74.540000000000006 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' THR . 12.3 t-20 -85.03 120.14 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -73.85 -37.98 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.040000000000006 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 60.4 t-80 -40.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.150000000000006 109.571 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 87.82 44.14 5.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 44.340000000000003 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 32' ' ' LEU . 5.7 tp -104.42 -19.24 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 52.039999999999999 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -83.29 141.06 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 13.48 58.83 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 110.995 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 35' ' ' LEU . 11.0 ptt180 -146.31 154.49 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 72.109999999999999 110.265 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.75 -172.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.741 HG22 ' NE1' ' A' ' 59' ' ' TRP . 72.5 p -75.5 -179.96 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 70.109999999999999 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 39.79 58.53 2.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 111.026 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm-40 -103.68 -52.62 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -39.57 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 52.039999999999999 109.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.92 132.88 16.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 110.981 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 -2.06 68.09 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.1 t80 -86.53 160.44 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 65.109999999999999 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.09 39.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 63.25 110.001 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.6 OUTLIER -39.24 159.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 74.439999999999998 110.988 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 79' ' ' LYS . 2.2 p -89.24 160.43 16.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.98 -8.81 52.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.01 -4.18 30.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.238 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t-20 -80.8 -66.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 74.349999999999994 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -22.17 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -43.32 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -46.78 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 75.5 109.248 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 80.63 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -146.0 141.86 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 0.797 . . . . 51.130000000000003 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.5 mm -61.67 96.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 60.140000000000001 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.741 ' NE1' HG22 ' A' ' 40' ' ' THR . 17.6 m95 -46.08 151.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 108.035 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . 165.24 158.96 10.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 110.943 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.879 ' HB3' HG21 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -38.52 -33.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 74.519999999999996 110.271 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -59.69 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 52.340000000000003 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 3.2 p -67.81 -7.91 31.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.429 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' CMA' ' A' ' 500' ' ' HEC . 75.8 mt -98.78 -33.75 10.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.466 ' HE1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -69.28 -15.45 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 54.130000000000003 111.002 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -109.11 -23.98 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 29.7 t80 -86.68 -53.94 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 71.140000000000001 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD21 HMB2 ' A' ' 500' ' ' HEC . 37.4 mt -40.85 -54.84 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 71.150000000000006 109.353 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 9.4 pt-20 -42.56 -44.34 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 75.209999999999994 110.253 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -149.71 92.89 4.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.010000000000005 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.99 -20.51 16.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 62.329999999999998 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -69.35 -71.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 74.530000000000001 109.34 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mttm -44.25 -66.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 67' ' ' TYR . 3.1 t80 -37.73 -53.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 111.041 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 78' ' ' THR . 7.0 mt -117.6 90.75 36.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 109.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -74.93 104.09 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.568 1.825 . . . . 71.299999999999997 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.91 -12.59 5.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 110.96 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.842 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -61.83 144.25 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 72.540000000000006 110.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 49' ' ' THR . 4.0 mttp -77.08 -35.84 56.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 109.27 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.419 ' HG3' ' NC ' ' A' ' 500' ' ' HEC . 5.2 ttt -37.19 107.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 72.200000000000003 110.938 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.517 ' O ' HG22 ' A' ' 81' ' ' ILE . 18.1 mm -95.15 65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.319999999999993 109.22 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 84' ' ' GLY . 15.8 t80 -119.96 95.9 4.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 111.012 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -40.37 -29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 54.109999999999999 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 107.62 164.83 21.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.429 1.081 . . . . 70.239999999999995 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 91' ' ' ARG . 19.6 mt -89.26 160.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 62.43 109.353 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 2.7 tptp -97.38 -65.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 65.040000000000006 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -65.16 107.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HG2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -54.35 -45.3 72.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.298 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.36 -30.04 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 110.264 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -72.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.053 . . . . 73.099999999999994 110.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 85' ' ' ILE . 6.7 ptt-85 -52.85 -27.62 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.82 90.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 44.100000000000001 109.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HBB3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -59.16 -19.05 41.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.049999999999997 109.295 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 61' ' ' GLU . 71.8 mt -80.76 -54.19 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 64.129999999999995 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -40.84 -62.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 53.109999999999999 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.3 t80 -39.05 -50.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' A' ' 10' ' ' PHE . 33.0 mt -56.3 -44.85 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 71.329999999999998 109.294 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -62.94 -13.96 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.34 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -108.79 -13.53 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 72.409999999999997 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.74 -77.09 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.61 -18.99 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 71.340000000000003 110.394 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.1 t30 -91.52 -25.01 19.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 72.299999999999997 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 110.325 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.844 . . . . 73.120000000000005 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 14.4 t0 -64.25 100.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 74.019999999999996 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 97' ' ' TYR . 4.0 p -65.41 -17.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.209 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -73.85 -60.94 2.02 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.326 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.5 -58.06 10.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.919 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -50.73 -21.44 4.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 73.129999999999995 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 12.9 ttpp -82.14 -63.11 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 0.741 . . . . 72.230000000000004 109.278 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -41.79 -32.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.381 1.051 . . . . 71.230000000000004 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.919 HD12 ' HA2' ' A' ' 6' ' ' GLY . 16.4 mt -65.61 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.6 t80 -50.19 -21.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 75.109999999999999 110.934 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.21 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.357 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.7 ttp -128.68 34.27 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.941 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -126.68 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 61.539999999999999 109.356 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 6.4 m -93.94 -43.44 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 108.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 8.1 m -41.34 -37.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 53.25 110.024 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -38.8 -47.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.76 -54.91 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 61.520000000000003 108.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.726 ' CE1' HD21 ' A' ' 32' ' ' LEU . 65.0 m-70 -65.4 163.51 15.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.547 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' C ' ' A' ' 18' ' ' HIS . 41.7 p -152.76 120.92 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 74.25 110.425 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.5 m -82.58 52.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 1.3 pt-20 -135.88 124.15 23.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 15.7 ttmt -40.07 136.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.323 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.85 45.59 94.78 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.544 1.152 . . . . 52.140000000000001 110.967 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.59 -166.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.837 . . . . 72.530000000000001 111.009 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.67 156.71 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 72.439999999999998 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 3.8 m-70 -104.68 32.43 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 109.575 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.11 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 74.099999999999994 109.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.45 ' O ' HMD3 ' A' ' 500' ' ' HEC . 19.6 m -111.95 -3.13 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 110.416 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.42 147.25 16.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 64.540000000000006 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.96 138.03 22.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.479 1.778 . . . . 74.540000000000006 111.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.7 t-20 -46.59 151.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' CE1' ' A' ' 18' ' ' HIS . 6.9 mt -111.94 -37.68 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 64.040000000000006 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 15.4 t-80 -40.19 105.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 74.150000000000006 109.612 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.74 25.9 10.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 44.340000000000003 110.982 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -80.1 -46.15 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 52.039999999999999 109.371 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.76 ' CZ ' HD12 ' A' ' 64' ' ' LEU . 74.4 m-85 -69.39 77.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.76 -20.76 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.082 . . . . 72.030000000000001 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 42' ' ' GLN . 12.0 ptm180 -93.48 -174.86 3.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 0.758 . . . . 72.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -119.72 168.93 10.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 74.329999999999998 109.292 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.568 HG22 ' NE1' ' A' ' 59' ' ' TRP . 12.6 p -77.39 138.88 39.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.537 1.148 . . . . 70.109999999999999 110.389 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.55 28.06 44.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 74.219999999999999 111.002 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.847 ' HB3' HH21 ' A' ' 38' ' ' ARG . 28.8 mm-40 -89.08 -48.2 7.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 73.109999999999999 110.327 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.02 100.37 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 52.039999999999999 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 161.49 38.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 73.409999999999997 111.001 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.14 19.36 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 26' ' ' HIS . 7.3 t80 -104.94 167.97 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 111.07 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.38 42.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 63.25 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -41.29 163.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 74.439999999999998 110.971 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.529 HG21 ' HG2' ' A' ' 79' ' ' LYS . 71.2 p -91.86 156.5 17.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.81 60.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 109.296 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.756 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.15 1.11 41.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -83.1 -59.56 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -73.26 -25.98 60.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 72.329999999999998 109.268 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . 18.5 t-20 -40.01 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.049999999999997 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HZ2' ' HB3' ' A' ' 55' ' ' LYS . 1.6 mmmp? -44.47 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.5 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.3 76.72 1.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 110.975 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.53 164.23 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 51.130000000000003 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.4 mm -97.03 103.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 60.140000000000001 109.266 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 41.6 m95 -46.7 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.02 -1.104 . . . . 71.340000000000003 108.02 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.5 -146.96 9.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.569 1.168 . . . . 65.120000000000005 111.059 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 16.0 tt0 -89.61 -27.99 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 74.519999999999996 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . 2.8 m-20 -92.1 -66.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 52.340000000000003 109.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -39.55 -30.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.4 mt -78.71 -63.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 109.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mtp -37.72 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 54.130000000000003 111.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 tp10 -80.44 -49.33 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 110.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 82.9 t80 -56.76 -43.4 80.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.140000000000001 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 91' ' ' ARG . 9.3 mt -55.67 -52.21 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 71.150000000000006 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -46.07 -29.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.209999999999994 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -173.41 89.77 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 64.010000000000005 109.358 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -12.22 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 62.329999999999998 110.979 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -82.45 -48.74 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.530000000000001 109.259 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -62.82 -66.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.74 -37.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 111.011 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.756 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.8 mt -126.67 91.9 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.425 1.078 . . . . 74.510000000000005 109.346 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.92 103.89 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.441 1.758 . . . . 71.299999999999997 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.93 9.87 10.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.8 t -68.69 165.9 18.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 72.540000000000006 110.47 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.599 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 11.6 mmtt -90.61 -40.14 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 74.450000000000003 109.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 ttt -41.69 129.11 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' ILE . 40.3 mm -113.99 65.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 72.319999999999993 109.339 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -125.68 125.04 42.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 75.010000000000005 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.35 -27.82 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 54.109999999999999 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -152.7 17.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 70.239999999999995 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 87' ' ' LYS . 51.2 mt -135.89 120.2 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 62.43 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -64.86 -76.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 85' ' ' ILE . 33.9 mmtm -48.46 140.82 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.319999999999993 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 2.4 tmmm? -84.75 -38.82 19.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 62.350000000000001 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.59 -14.72 45.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 70.430000000000007 110.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 1.3 mp0 -77.08 -74.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 73.099999999999994 110.272 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' LYS . 24.8 ptt-85 -57.69 -30.26 65.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 72.510000000000005 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -58.24 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 44.100000000000001 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 26.1 t0 -75.47 -43.68 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 61.210000000000001 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 6' ' ' GLY . 59.8 tp -50.35 -42.72 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.049999999999997 109.277 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . 85.0 mt -59.75 -38.15 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 64.129999999999995 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -56.46 -62.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 53.109999999999999 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.0 t80 -41.12 -45.94 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 10' ' ' PHE . 56.4 mt -57.36 -53.73 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 71.329999999999998 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mptm? -53.25 -21.26 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 73.109999999999999 109.313 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -92.22 -26.13 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.409999999999997 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' LEU . . . -89.08 -77.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 73.540000000000006 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -51.69 -28.85 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 110.404 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -126.29 60.54 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 72.299999999999997 109.32 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.787 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 73.120000000000005 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.23 118.47 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 74.019999999999996 109.228 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' TYR . 8.1 t -84.06 -47.14 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.92 -58.13 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 110.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.46 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.949 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -51.23 -20.78 5.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 111.016 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . 45.1 tttt -79.41 -64.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 72.230000000000004 109.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -40.55 -37.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 109.281 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.949 HD12 ' HA2' ' A' ' 6' ' ' GLY . 12.9 mt -61.68 -59.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.253 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.9 t80 -58.5 -25.68 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 111.03 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 12' ' ' MET . 5.6 mt -64.9 -31.15 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.53 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.1 mpp? -136.2 34.87 2.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 74.430000000000007 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 12.0 tppt? -133.46 -64.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 61.539999999999999 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.08 -4.53 27.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 73.310000000000002 108.257 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.5 t -85.82 47.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 53.25 110.012 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' CMC' ' A' ' 500' ' ' HEC . 1.8 pt20 -125.45 -50.21 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 110.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -33.32 6.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.082 . . . . 61.520000000000003 108.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 19' ' ' THR . 89.9 m-70 -85.8 174.03 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 109.6 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.5 p -159.68 112.44 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 74.25 110.395 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.2 m -82.68 53.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 73.299999999999997 109.364 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.1 pt-20 -134.22 121.57 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.450000000000003 110.293 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.602 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 37.4 ttpt -40.41 157.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 109.281 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.94 32.91 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.113 . . . . 52.140000000000001 110.981 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.81 -174.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.001 -0.84 . . . . 72.530000000000001 111.001 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -102.29 -174.95 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 72.439999999999998 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.6 m-70 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 75.040000000000006 109.528 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -55.38 -168.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.099999999999994 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' HMD3 ' A' ' 500' ' ' HEC . 96.1 m -36.94 -31.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.431 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -124.51 153.94 17.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 64.540000000000006 111.033 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.93 168.22 25.33 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 74.540000000000006 110.983 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.714 ' O ' HD23 ' A' ' 32' ' ' LEU . 15.0 t-20 -75.95 158.09 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 31' ' ' ASN . 71.8 mt -133.18 56.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 64.040000000000006 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 65.7 t-80 -119.72 74.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.150000000000006 109.66 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 110.96 20.12 7.35 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 44.340000000000003 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.131 HD21 HMA3 ' A' ' 500' ' ' HEC . 7.5 tp -64.4 -16.69 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 52.039999999999999 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.74 102.76 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.409999999999997 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.2 5.64 9.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 72.030000000000001 111.053 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -128.97 143.63 50.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 72.109999999999999 110.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' HG12 ' A' ' 58' ' ' ILE . 17.9 mttm -67.77 -173.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 74.329999999999998 109.252 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.579 HG22 ' CE2' ' A' ' 59' ' ' TRP . 77.8 p -84.62 177.61 7.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 70.109999999999999 110.404 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 38.4 38.69 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 74.219999999999999 110.999 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 27.1 mm-40 -90.78 -51.77 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 73.109999999999999 110.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.7 100.11 0.21 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 52.039999999999999 109.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 146.68 32.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.34 74.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 73.439999999999998 110.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.0 t80 -111.94 158.32 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 65.109999999999999 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.2 m -104.01 60.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 63.25 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 52' ' ' ASN . 1.3 m-85 -57.8 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 111.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.705 HG23 ' O1D' ' A' ' 500' ' ' HEC . 69.5 p -107.95 156.31 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 75.510000000000005 110.432 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.95 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 62.109999999999999 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -100.09 -11.86 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.489 1.118 . . . . 71.230000000000004 109.24 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 48' ' ' TYR . 20.3 t-20 -72.47 -31.63 65.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.349999999999994 109.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -92.73 -38.54 11.75 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.59 1.181 . . . . 72.329999999999998 109.303 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' LYS . 62.2 m-20 -40.3 -64.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.049999999999997 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' A' ' 75' ' ' ILE . 10.3 mmmt -40.4 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.5 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.58 86.73 0.11 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 110.933 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 2.5 pp -149.02 161.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 51.130000000000003 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.815 ' O ' HG21 ' A' ' 63' ' ' THR . 2.7 mt -89.48 111.73 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 60.140000000000001 109.262 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE2' HG22 ' A' ' 40' ' ' THR . 56.9 m95 -58.66 167.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 107.991 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.53 -137.44 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' MET . 28.1 mt-10 -89.71 -38.05 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 74.519999999999996 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.51 -67.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 52.340000000000003 109.247 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 58' ' ' ILE . 18.8 p -38.71 -36.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.442 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 60' ' ' GLY . 72.0 mt -79.42 -59.64 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 64.340000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.8 mmt -37.71 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 54.130000000000003 110.949 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.7 tp10 -89.0 -46.62 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.341 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 46.6 t80 -58.92 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 71.140000000000001 110.981 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD13 HBB2 ' A' ' 500' ' ' HEC . 2.8 mm? -40.72 -47.56 2.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.150000000000006 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.26 -66.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -131.94 89.16 39.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 64.010000000000005 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -50.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 62.329999999999998 110.989 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -43.23 -45.36 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' TYR . 32.9 mttm -66.23 -61.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.8 t80 -37.76 -49.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.999 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 2.9 mm -115.13 91.06 25.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.05 104.12 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 71.299999999999997 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.33 0.97 8.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.979 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.2 t -75.63 173.88 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 72.540000000000006 110.342 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' HE2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -111.53 -16.98 13.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.301 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 14.6 ttt -60.79 93.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.200000000000003 110.957 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 81' ' ' ILE . 22.0 mm -95.15 79.03 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 58.9 t80 -93.71 120.62 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 75.010000000000005 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.21 -36.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 54.109999999999999 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 93.51 159.76 34.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 70.239999999999995 111.043 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.81 150.31 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.43 109.258 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -108.22 -49.09 3.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 65.040000000000006 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -70.55 121.7 18.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.305 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.0 tttm -66.68 -46.78 74.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.350000000000001 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.15 -24.68 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 70.430000000000007 110.277 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -80.13 -32.18 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 110.313 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 60.6 mtm-85 -77.96 -42.98 31.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.510000000000005 110.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.64 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 44.100000000000001 109.236 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.3 -47.56 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 109.262 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 6' ' ' GLY . 41.3 tp -56.98 -43.51 81.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 74.049999999999997 109.332 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 99' ' ' LYS . 78.9 mt -66.01 -51.51 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.77 -54.82 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 109.275 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 9.4 t80 -46.8 -45.64 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.340000000000003 111.054 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.97 HD21 ' CE2' ' A' ' 10' ' ' PHE . 70.2 mt -59.23 -37.76 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.236 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HE3' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -66.11 -12.12 53.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.268 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' VAL . 30.4 mmtt -118.63 -4.59 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 72.409999999999997 109.232 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -101.93 -75.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 73.540000000000006 109.29 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -63.37 -12.18 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 110.34 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -99.02 -17.3 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 72.299999999999997 109.326 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 6.6 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 64.019999999999996 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 1.131 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 73.120000000000005 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.04 122.81 27.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 0.796 . . . . 74.019999999999996 109.306 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 97' ' ' TYR . 20.7 t -79.57 -50.77 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -45.56 -47.98 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.297 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -71.15 -52.27 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.340000000000003 109.283 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -57.03 -16.43 18.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 73.129999999999995 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 8.2 tppt? -82.34 -65.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 72.230000000000004 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -36.74 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 13' ' ' LYS . 16.4 mt -66.02 -77.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 109.269 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.198 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -40.72 -29.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.109999999999999 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ILE . 6.4 mt -57.98 -48.92 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 64.230000000000004 109.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -112.75 25.32 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 111.029 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.731 ' O ' HMC3 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -118.97 -77.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 61.539999999999999 109.314 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.04 -53.18 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 108.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 22.9 t -38.63 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 53.25 109.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 14' ' ' CYS . 49.4 tt0 -45.55 -54.41 7.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 64.140000000000001 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 -45.07 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 61.520000000000003 108.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 19' ' ' THR . 81.8 m-70 -69.59 -177.23 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 64.430000000000007 109.549 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.02 113.82 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 74.25 110.36 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -81.0 54.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 109.317 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 33' ' ' HIS . 5.9 pt-20 -131.49 120.7 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.27 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.35 133.98 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.271 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.6 47.36 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 52.140000000000001 110.934 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -155.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.975 -0.85 . . . . 72.530000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -109.74 -175.32 2.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 72.439999999999998 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 2.0 m-70 -118.14 37.12 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 75.040000000000006 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.76 -164.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 74.099999999999994 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' HMD3 ' A' ' 500' ' ' HEC . 21.4 m -38.77 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.510000000000005 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.12 154.28 19.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.085 . . . . 64.540000000000006 111.023 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.96 169.34 22.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.029 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' HD23 ' A' ' 32' ' ' LEU . 12.9 t-20 -72.67 155.99 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 35' ' ' LEU . 12.2 mt -118.45 -44.51 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.040000000000006 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 7.5 t-80 -46.57 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 109.575 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . . . 104.75 23.93 7.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 44.340000000000003 111.014 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.894 HD11 HMA3 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -95.43 -11.82 26.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 52.039999999999999 109.367 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -90.33 83.3 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 73.409999999999997 110.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.04 -27.01 0.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.412 1.07 . . . . 72.030000000000001 110.986 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 10.0 ptt85 -113.6 166.13 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 72.109999999999999 110.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -82.86 -175.0 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.299 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.013 HG22 ' NE1' ' A' ' 59' ' ' TRP . 14.3 p -84.83 166.8 16.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 70.109999999999999 110.375 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 59.67 46.9 93.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 111.004 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -109.78 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.109999999999999 110.332 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.15 105.62 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 52.039999999999999 109.274 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.13 11.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.492 1.785 . . . . 73.409999999999997 111.056 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.64 16.71 17.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.416 1.072 . . . . 73.439999999999998 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.4 t80 -110.61 169.64 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.109999999999999 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -122.29 64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 63.25 110.0 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 2.4 m-85 -56.38 -167.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.614 HG23 ' O1D' ' A' ' 500' ' ' HEC . 73.2 p -116.42 157.06 25.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.445 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -16.24 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 109.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.13 9.4 42.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 71.230000000000004 109.294 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.589 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.5 t-20 -95.75 -61.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 74.349999999999994 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -16.02 62.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 72.329999999999998 109.313 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.01 -54.32 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.049999999999997 109.232 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.07 -85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.5 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 80.52 92.21 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 73.030000000000001 111.003 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.739 HD13 ' CG2' ' A' ' 63' ' ' THR . 2.6 pp -153.04 156.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 51.130000000000003 109.359 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.805 ' O ' HG21 ' A' ' 63' ' ' THR . 3.5 mm -73.77 117.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 60.140000000000001 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' THR . 55.2 m95 -67.69 164.33 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.340000000000003 108.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 164.3 -136.78 4.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.093 . . . . 65.120000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.591 ' CG ' ' CE ' ' A' ' 99' ' ' LYS . 15.9 mt-10 -89.67 -38.93 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 74.519999999999996 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' LEU . 41.2 m-20 -74.27 -72.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 52.340000000000003 109.295 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -38.98 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.519999999999996 110.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 60' ' ' GLY . 19.2 mt -79.07 -69.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 64.340000000000003 109.373 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 88' ' ' LYS . 3.9 mtp -38.52 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 54.130000000000003 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.4 tt0 -85.14 -46.24 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 74.140000000000001 110.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' HD12 ' A' ' 75' ' ' ILE . 49.1 t80 -67.74 -60.78 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 71.140000000000001 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' TYR . 47.4 mt -40.5 -50.16 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 71.150000000000006 109.258 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 27.5 tt0 -39.12 -48.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 75.209999999999994 110.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -158.3 94.43 1.96 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.010000000000005 109.293 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -75.04 -13.07 21.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 62.329999999999998 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -80.75 -38.48 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 74.530000000000001 109.276 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -81.15 -47.43 13.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 73.420000000000002 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -62.11 -48.17 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 75.439999999999998 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.797 ' O ' HG22 ' A' ' 78' ' ' THR . 11.0 mt -120.29 78.78 27.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 74.510000000000005 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.583 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.4 Cg_endo -74.98 112.14 3.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.412 1.743 . . . . 71.299999999999997 111.029 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 51' ' ' ALA . . . 129.8 -14.13 5.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -71.07 172.53 8.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 0.812 . . . . 72.540000000000006 110.454 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HG2' HMD2 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -109.3 -15.88 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 109.265 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.484 ' HG3' ' C4C' ' A' ' 500' ' ' HEC . 3.6 ttt -39.28 99.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -74.93 79.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 72.319999999999993 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -153.72 108.62 3.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 111.046 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.78 -15.79 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 54.109999999999999 109.349 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.76 149.18 22.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 70.239999999999995 110.999 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 22.7 mt -77.93 91.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 62.43 109.291 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -40.18 -46.03 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 65.040000000000006 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.9 mppt? -58.96 127.63 33.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.319999999999993 109.334 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.2 ttmp? -85.51 -32.66 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 62.350000000000001 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.39 -7.89 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.430000000000007 110.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' CG ' HG21 ' A' ' 85' ' ' ILE . 26.3 tp10 -85.95 -69.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 73.099999999999994 110.303 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' NH2' ' HG3' ' A' ' 88' ' ' LYS . 9.2 ptt180 -44.31 -36.25 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 72.510000000000005 110.339 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.09 -46.97 17.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 44.100000000000001 109.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -43.42 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 61.210000000000001 109.334 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 ' HB ' ' A' ' 9' ' ' ILE . 2.0 tm? -55.55 -19.53 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.049999999999997 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.6 mt -88.08 -28.72 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 64.129999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -55.35 -62.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.109999999999999 109.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.781 ' HA ' HG13 ' A' ' 3' ' ' VAL . 8.2 t80 -40.96 -38.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 111.031 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.198 HD21 ' CE2' ' A' ' 10' ' ' PHE . 49.0 mt -65.47 -46.58 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 71.329999999999998 109.22 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' CE ' ' CG ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -59.33 -16.68 23.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.276 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG3' HG21 ' A' ' 3' ' ' VAL . 35.5 mmtm -106.36 -19.0 13.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 72.409999999999997 109.244 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -93.66 -76.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.540000000000006 109.251 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.58 -37.03 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.340000000000003 110.474 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -109.39 32.58 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 72.299999999999997 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 64.019999999999996 110.352 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.894 HMA3 HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 73.120000000000005 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.62 101.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.45 -18.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 109.265 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -77.31 -54.84 5.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 73.219999999999999 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -56.82 -61.88 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 109.27 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.684 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -42.37 -37.58 2.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 11' ' ' ILE . 33.5 ttmt -57.95 -61.08 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 0.762 . . . . 72.230000000000004 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 11' ' ' ILE . 27.7 mttp -53.37 -42.01 66.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.684 HD12 ' HA2' ' A' ' 6' ' ' GLY . 13.4 mt -61.84 -80.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.313 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.055 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.6 t80 -36.49 -41.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 8' ' ' LYS . 13.0 mt -44.73 -51.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 64.230000000000004 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.4 ttm -112.58 24.99 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.430000000000007 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.16 -66.1 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 61.539999999999999 109.303 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 17.2 m -102.8 -52.94 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.242 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' CYS . 21.8 m -38.75 -30.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 53.25 110.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' CYS . 11.9 mt-30 -41.41 -49.24 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 64.140000000000001 110.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -50.28 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 61.520000000000003 108.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' O ' HG23 ' A' ' 19' ' ' THR . 88.6 m-70 -59.95 173.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.430000000000007 109.6 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.97 112.28 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.25 110.449 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.892 HG21 ' HB1' ' A' ' 101' ' ' ALA . 4.1 m -84.91 53.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.42 123.06 23.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 73.450000000000003 110.277 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 40.0 tttm -40.62 154.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.64 33.09 8.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 52.140000000000001 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.82 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.021 -0.832 . . . . 72.530000000000001 111.021 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -111.96 154.16 25.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 72.439999999999998 109.28 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 1.5 m-70 -90.62 40.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.040000000000006 109.609 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -57.19 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 74.099999999999994 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' HMD3 ' A' ' 500' ' ' HEC . 5.9 m -39.1 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 110.396 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.28 154.56 19.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 64.540000000000006 111.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -74.99 169.49 22.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 74.540000000000006 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.52 146.71 34.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 71.129999999999995 109.335 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 35' ' ' LEU . 14.0 mt -109.12 -18.75 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 64.040000000000006 109.241 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 64.8 t-80 -50.42 107.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 74.150000000000006 109.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.17 46.86 9.74 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.538 1.149 . . . . 44.340000000000003 111.009 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD22 HD22 ' A' ' 32' ' ' LEU . 7.5 tp -89.62 -73.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 0.811 . . . . 52.039999999999999 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 64' ' ' LEU . 86.4 m-85 -37.65 112.88 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 11.07 9.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 42' ' ' GLN . 11.1 ptm180 -139.83 143.94 37.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 72.109999999999999 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.29 -172.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 74.329999999999998 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' NE1' ' A' ' 59' ' ' TRP . 51.5 p -88.71 158.41 18.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.109999999999999 110.44 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.735 ' N ' HE21 ' A' ' 42' ' ' GLN . . . 59.33 74.83 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -120.27 -64.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 73.109999999999999 110.354 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.742 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 52.039999999999999 109.275 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.74 34.77 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 73.409999999999997 111.006 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.5 9.83 56.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 8.7 t80 -98.2 163.29 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 65.109999999999999 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 43.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.25 109.972 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -43.24 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.953 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.538 HG23 HBD2 ' A' ' 500' ' ' HEC . 35.8 p -92.2 151.27 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 110.426 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.09 -16.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.109999999999999 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.32 -30.37 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 9.9 t-20 -49.91 -34.55 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.349999999999994 109.23 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -44.11 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.43 -43.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 74.049999999999997 109.335 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.68 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 75.5 109.333 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' ILE . . . 76.86 80.17 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 73.030000000000001 111.05 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.654 HD11 ' CZ3' ' A' ' 59' ' ' TRP . 2.7 pp -157.02 175.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 0.776 . . . . 51.130000000000003 109.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.66 95.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 60.140000000000001 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.698 ' NE1' HG22 ' A' ' 40' ' ' THR . 57.3 m95 -46.18 143.27 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.992 -1.114 . . . . 71.340000000000003 107.992 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 63' ' ' THR . . . -163.9 -139.73 2.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -89.7 -43.67 10.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 110.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.1 -58.94 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 52.340000000000003 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 2.4 p -38.74 -41.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 72.519999999999996 110.45 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 36' ' ' PHE . 11.4 mt -70.49 -52.03 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 64.340000000000003 109.276 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' HH21 ' A' ' 91' ' ' ARG . 20.2 ttm -56.42 -16.98 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 54.130000000000003 111.018 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.32 -16.6 16.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 110.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 68' ' ' LEU . 40.3 t80 -94.81 -59.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.140000000000001 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD21 HMB2 ' A' ' 500' ' ' HEC . 70.9 mt -49.07 -33.66 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 70' ' ' ASN . 8.7 pt-20 -56.63 -44.84 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 110.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 34.6 p-10 -149.01 79.64 8.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 64.010000000000005 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -9.05 20.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 62.329999999999998 110.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -86.51 -19.82 28.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 74.530000000000001 109.215 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -103.82 -47.34 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 73.420000000000002 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 4.8 t80 -53.13 -49.82 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.898 ' O ' HG22 ' A' ' 78' ' ' THR . 5.3 mt -123.15 86.36 51.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.510000000000005 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 71.299999999999997 110.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.87 -36.52 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.0 t -45.33 168.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 0.7 . . . . 72.540000000000006 110.36 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 3.9 pttt -104.66 -17.35 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.42 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 16.7 ttt -59.72 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 72.200000000000003 111.056 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' LYS . 17.4 mm -79.24 102.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 72.319999999999993 109.37 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.08 112.53 8.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 75.010000000000005 110.997 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.71 -62.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 109.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.47 164.71 11.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 70.239999999999995 110.956 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 17.0 mt -114.9 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 62.43 109.315 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -45.04 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 65.040000000000006 109.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.77 98.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.297 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -56.31 -44.58 80.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 62.350000000000001 109.344 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -47.46 -29.13 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.27 -37.83 21.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 110.231 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.814 HH21 ' HG2' ' A' ' 65' ' ' MET . 33.0 mtm-85 -74.05 -5.24 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.510000000000005 110.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.93 -23.0 21.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 44.100000000000001 109.374 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -35.83 8.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.563 1.164 . . . . 61.210000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.6 tm? -59.84 -22.14 61.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 74.049999999999997 109.356 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -100.41 -46.52 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 64.129999999999995 109.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.57 -34.74 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.109999999999999 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.77 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 66.6 mt -67.19 -38.57 85.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 71.329999999999998 109.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 2.8 mptp? -51.78 -22.21 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 72.409999999999997 109.333 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.892 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -41.53 -55.05 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.540000000000006 109.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.03 HG22 ' O ' ' A' ' 98' ' ' LEU . 11.9 t -86.4 45.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 110.44 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -134.29 -47.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.299999999999997 109.271 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.019999999999996 110.356 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.795 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.839 . . . . 73.120000000000005 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -61.06 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 74.019999999999996 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.64 -38.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.0 -63.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -54.79 -47.56 73.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 75.340000000000003 109.308 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.744 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -55.55 -18.06 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HG2' HD11 ' A' ' 11' ' ' ILE . 26.5 tttm -85.99 -48.34 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 0.735 . . . . 72.230000000000004 109.256 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -57.78 -40.26 79.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.230000000000004 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.744 HD12 ' HA2' ' A' ' 6' ' ' GLY . 8.0 mt -60.72 -75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.430000000000007 109.355 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.995 ' CE1' HD21 ' A' ' 98' ' ' LEU . 2.3 t80 -41.42 -50.01 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.109999999999999 110.987 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.62 HG22 ' HG3' ' A' ' 12' ' ' MET . 25.5 mt -38.95 -44.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 109.315 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.62 ' HG3' HG22 ' A' ' 11' ' ' ILE . 45.9 mtm -135.31 43.4 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 110.969 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -138.24 -47.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.539999999999999 109.342 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -126.97 -50.81 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 73.310000000000002 108.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -20.82 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 53.25 110.001 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -49.09 -41.47 35.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 64.140000000000001 110.327 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -41.02 3.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 108.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 93.7 m-70 -70.21 -175.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 109.642 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -160.01 111.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 74.25 110.341 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 5.3 m -89.53 48.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.26 170.29 7.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 110.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -86.66 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 74.129999999999995 109.328 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.95 46.12 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.09 . . . . 52.140000000000001 111.037 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.06 -159.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 72.530000000000001 110.959 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -111.7 163.46 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 72.439999999999998 109.285 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.6 m-70 -90.86 44.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.040000000000006 109.571 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' GLY . 12.0 mmmt -55.01 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 109.27 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' HMD3 ' A' ' 500' ' ' HEC . 2.9 m -37.11 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 74.510000000000005 110.372 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.08 155.94 19.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 64.540000000000006 110.978 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.1 Cg_endo -74.99 169.1 23.36 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 74.540000000000006 110.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 18.2 t-20 -76.07 157.43 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 35' ' ' LEU . 88.4 mt -131.57 67.48 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 64.040000000000006 109.346 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 t-80 -126.66 88.7 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.557 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 20.15 36.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 44.340000000000003 111.038 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.997 HD21 HMA3 ' A' ' 500' ' ' HEC . 8.0 tp -63.84 -19.07 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 52.039999999999999 109.252 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.9 ' CE2' HD12 ' A' ' 64' ' ' LEU . 46.1 m-85 -74.6 103.17 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.074 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . . . 124.27 -36.74 2.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 72.030000000000001 110.949 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' NE ' HD12 ' A' ' 35' ' ' LEU . 12.4 ptt180 -81.48 158.53 24.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 72.109999999999999 110.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.9 mttp -84.24 -177.82 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 74.329999999999998 109.222 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.932 HG22 ' NE1' ' A' ' 59' ' ' TRP . 69.2 p -87.62 175.23 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.45 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 43.55 51.62 6.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 111.02 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.19 -45.99 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 73.109999999999999 110.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.01 103.11 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 52.039999999999999 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.28 32.36 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 73.409999999999997 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.74 13.57 83.42 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 111.053 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.3 t80 -104.3 161.5 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 65.109999999999999 111.059 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.15 66.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 63.25 109.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.6 m-85 -60.15 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -114.68 156.65 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 110.337 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.58 -14.99 48.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 62.109999999999999 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -92.46 -16.04 26.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 71.230000000000004 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 48' ' ' TYR . 7.1 t-20 -69.85 -70.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 109.312 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -21.5 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.65 -64.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.063 . . . . 74.049999999999997 109.287 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -41.28 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 75.5 109.38 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.54 85.77 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.499 1.124 . . . . 73.030000000000001 111.029 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.516 HD11 ' CH2' ' A' ' 59' ' ' TRP . 2.2 pp -148.47 160.3 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 51.130000000000003 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.3 mm -87.42 96.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 60.140000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.932 ' NE1' HG22 ' A' ' 40' ' ' THR . 38.7 m95 -49.07 160.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 108.035 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 64' ' ' LEU . . . 176.3 -145.42 7.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 65.120000000000005 110.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HG3' ' HZ1' ' A' ' 99' ' ' LYS . 30.3 tt0 -89.71 -23.26 21.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 0.788 . . . . 74.519999999999996 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -92.19 -66.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 52.340000000000003 109.312 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 p -43.76 -27.24 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 72.519999999999996 110.389 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD12 ' CE2' ' A' ' 36' ' ' PHE . 20.1 mt -81.75 -44.07 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' ASP . 9.2 mtp -69.96 -5.46 26.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 54.130000000000003 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -109.16 -46.39 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 74.140000000000001 110.306 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 75' ' ' ILE . 44.2 t80 -68.3 -48.5 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 71.140000000000001 111.04 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' CD2' HMB2 ' A' ' 500' ' ' HEC . 84.4 mt -54.92 -34.97 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 71.150000000000006 109.28 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 91' ' ' ARG . 26.4 tt0 -52.41 -37.08 55.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 110.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.492 ' ND2' ' NZ ' ' A' ' 73' ' ' LYS . 18.2 m-20 -161.29 84.22 1.82 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 64.010000000000005 109.377 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 18.1 Cg_endo -75.02 -6.49 18.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 62.329999999999998 111.031 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -87.17 -32.89 19.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.371 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' NZ ' ' ND2' ' A' ' 70' ' ' ASN . 6.9 mtmm -88.7 -56.97 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 73.420000000000002 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 3.5 t80 -42.66 -57.51 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 75.439999999999998 111.026 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 78' ' ' THR . 18.0 mt -116.44 86.96 19.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.229 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 71.299999999999997 111.046 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.23 -23.26 9.26 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 111.045 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.3 t -57.58 169.14 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 72.540000000000006 110.378 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.575 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 4.2 pttp -107.9 -11.77 15.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.5 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.4 ttt -49.41 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 110.974 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' LYS . 23.1 mm -71.43 102.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD2' ' HA2' ' A' ' 84' ' ' GLY . 27.2 t80 -157.7 126.58 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.010000000000005 110.937 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.39 -21.62 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.299 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 82' ' ' PHE . . . 102.14 -164.02 17.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 70.239999999999995 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.9 mt -142.07 120.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 62.43 109.337 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -49.51 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 65.040000000000006 109.277 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -57.02 128.04 35.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.232 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -76.79 -33.73 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 62.350000000000001 109.309 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.66 -10.39 35.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 70.430000000000007 110.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.531 ' OE1' HD13 ' A' ' 9' ' ' ILE . 28.9 tp10 -85.2 -66.19 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.099999999999994 110.368 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.91 -46.31 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.510000000000005 110.361 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.95 92.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 44.100000000000001 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.0 m-20 -69.54 -69.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 61.210000000000001 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.09 -47.54 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.281 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CG2' ' CE ' ' A' ' 99' ' ' LYS . 62.6 mt -57.79 -49.72 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 64.129999999999995 109.289 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -40.46 -65.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 53.109999999999999 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -44.02 -48.72 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 110.975 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.995 HD21 ' CE1' ' A' ' 10' ' ' PHE . 59.7 mt -53.99 -49.43 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.318 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' CE ' ' CG2' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -58.99 -16.92 20.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.314 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 20.5 tptm -96.95 -19.15 19.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.409999999999997 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.29 -77.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -57.76 -38.05 74.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 71.340000000000003 110.419 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.53 34.93 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 72.299999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 1.6 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 64.019999999999996 110.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.997 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.026 -0.83 . . . . 73.120000000000005 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.69 141.38 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.019999999999996 109.288 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG11 ' CB ' ' A' ' 100' ' ' LYS . 4.4 m -90.76 -34.61 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.340000000000003 109.229 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.49 -51.14 67.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 110.304 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' LYS . 3.7 mptp? -64.06 -60.63 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.209 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -46.39 -30.87 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 111.02 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 72.230000000000004 109.296 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 12' ' ' MET . 22.6 mmtp -64.3 -43.6 94.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 109.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 6' ' ' GLY . 4.9 mt -64.52 -67.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 74.430000000000007 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.182 ' CE2' HD21 ' A' ' 98' ' ' LEU . 1.7 t80 -41.22 -47.93 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 75.109999999999999 111.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.19 -42.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 64.230000000000004 109.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -119.63 35.39 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.956 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.59 -75.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 61.539999999999999 109.26 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.6 m -91.66 -47.21 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 73.310000000000002 108.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -39.12 -34.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 53.25 109.979 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -39.59 -49.43 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 64.140000000000001 110.278 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 -54.84 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 61.520000000000003 108.242 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.71 ' O ' HG23 ' A' ' 19' ' ' THR . 82.4 m-70 -56.62 177.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.659 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.2 p -160.18 105.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.25 110.375 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -89.25 47.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 73.299999999999997 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -142.67 119.32 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.312 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.42 110.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.129999999999995 109.299 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.52 -13.6 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.454 1.096 . . . . 52.140000000000001 111.048 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.23 105.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.923 -0.871 . . . . 72.530000000000001 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -57.66 172.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 72.439999999999998 109.209 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.3 42.51 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 75.040000000000006 109.582 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -56.14 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.099999999999994 109.364 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' HMD3 ' A' ' 500' ' ' HEC . 7.1 m -38.3 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.510000000000005 110.38 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -126.87 156.54 20.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 64.540000000000006 111.076 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -75.0 169.36 22.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 74.540000000000006 111.064 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.634 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.6 t-20 -75.24 147.65 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 71.129999999999995 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 31' ' ' ASN . 56.8 mt -128.28 56.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.040000000000006 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 40.4 t-80 -112.08 33.94 4.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.201 . . . . 74.150000000000006 109.615 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.47 50.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 44.340000000000003 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -94.24 -10.3 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 52.039999999999999 109.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.55 132.79 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 73.409999999999997 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.58 11.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 2.3 ptp180 -154.38 169.9 22.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 72.109999999999999 110.247 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 3.0 ttmp? -89.92 166.62 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 109.322 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.017 HG22 ' NE1' ' A' ' 59' ' ' TRP . 22.5 p -72.69 -179.23 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.467 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 38.5 52.55 2.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 111.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 25.3 mm-40 -103.4 -47.91 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 73.109999999999999 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -39.61 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 52.039999999999999 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.93 124.2 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 73.409999999999997 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.31 23.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 110.983 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.3 t80 -110.87 150.8 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 65.109999999999999 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.2 42.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 63.25 109.994 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -42.56 159.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 111.024 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 2.2 p -85.53 157.85 20.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 -11.04 58.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 62.109999999999999 109.248 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -97.45 -12.34 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 2.7 t-20 -68.96 -67.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 74.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -27.69 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.329999999999998 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -48.99 -34.69 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 74.049999999999997 109.298 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -54.65 -78.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.5 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.74 56.83 4.77 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.463 1.102 . . . . 73.030000000000001 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.41 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.5 pp -134.35 -176.67 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 51.130000000000003 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.993 ' O ' HG21 ' A' ' 63' ' ' THR . 38.4 mm -111.73 106.91 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 60.140000000000001 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.017 ' NE1' HG22 ' A' ' 40' ' ' THR . 66.9 m95 -59.35 149.04 30.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 107.971 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.857 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -179.45 -131.04 1.55 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 65.120000000000005 110.944 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -89.64 -66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 110.347 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -57.23 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 52.340000000000003 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.993 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -38.76 -37.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.7 mp -79.34 -61.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 64.340000000000003 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 ttm -42.07 -27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 54.130000000000003 110.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.27 -39.7 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.617 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 25.4 t80 -71.42 -62.37 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 110.985 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -45.74 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 110.28 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.64 86.08 34.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.092 . . . . 64.010000000000005 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.93 -22.31 15.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.402 1.738 . . . . 62.329999999999998 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -37.01 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 74.530000000000001 109.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -52.02 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 109.335 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -45.78 -54.69 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.048 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.617 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 4.0 mt -115.45 89.86 23.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 71.299999999999997 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.3 1.04 7.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.538 1.148 . . . . 72.129999999999995 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.5 t -78.33 145.19 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 72.540000000000006 110.437 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.536 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.4 OUTLIER -85.78 -12.78 50.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 1.195 . . . . 74.450000000000003 109.34 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 7.6 ttt -63.76 91.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 111.021 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.79 73.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLY . 9.0 t80 -91.02 116.61 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -41.21 -29.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.617 1.198 . . . . 54.109999999999999 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . 90.23 -176.38 41.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 70.239999999999995 111.031 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.517 HD12 ' HG3' ' A' ' 91' ' ' ARG . 59.4 mt -143.99 140.97 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 62.43 109.363 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -109.64 -32.91 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 65.040000000000006 109.343 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -73.08 122.28 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 74.319999999999993 109.37 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -74.41 -43.35 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 62.350000000000001 109.377 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.94 -26.04 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.29 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 mm-40 -90.99 -70.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 73.099999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -38.91 -36.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.510000000000005 110.352 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.21 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 44.100000000000001 109.27 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' GLU . 3.8 m-20 -58.99 -49.02 79.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 109.26 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.601 ' CD2' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -40.39 -42.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.049999999999997 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 64' ' ' LEU . 57.1 mt -78.01 -48.51 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.333 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.8 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.109999999999999 109.336 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' A' ' 20' ' ' VAL . 10.6 t80 -53.87 -47.13 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 73.340000000000003 110.957 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.182 HD21 ' CE2' ' A' ' 10' ' ' PHE . 84.7 mt -58.0 -41.58 83.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 1.1 mptp? -65.6 -11.77 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.709 ' CB ' HG11 ' A' ' 3' ' ' VAL . 38.1 tptt -116.12 -5.25 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.409999999999997 109.305 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -104.87 -76.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.72 -13.78 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.340000000000003 110.448 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 30.6 t30 -77.16 -21.18 54.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 64.019999999999996 110.292 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.782 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.035 -0.826 . . . . 73.120000000000005 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.0 159.6 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 74.019999999999996 109.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.33 -18.25 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 72.340000000000003 109.28 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.75 -30.04 19.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 110.257 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -75.68 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.981 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -56.27 -17.04 16.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HE3' HD11 ' A' ' 11' ' ' ILE . 9.0 tttp -68.6 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 72.230000000000004 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.929 ' HA ' HD12 ' A' ' 11' ' ' ILE . 26.7 mmtm -40.48 -31.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.981 HD12 ' HA2' ' A' ' 6' ' ' GLY . 28.5 mt -68.53 -73.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.12 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.0 t80 -45.92 -26.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 75.109999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 8' ' ' LYS . 66.9 mt -58.23 -54.85 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 64.230000000000004 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 11' ' ' ILE . 2.5 mpp? -110.37 30.71 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 74.430000000000007 110.918 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -123.77 -74.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 61.539999999999999 109.333 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 1.7 m -96.17 -55.02 3.09 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 108.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 9.2 t -38.99 -30.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 53.25 109.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' CYS . 25.2 tt0 -38.96 -47.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.140000000000001 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -40.02 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 61.520000000000003 108.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.702 ' O ' HG23 ' A' ' 19' ' ' THR . 86.5 m-70 -74.34 -177.02 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 64.430000000000007 109.608 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.3 p -159.96 120.45 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.25 110.458 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -83.85 51.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.299999999999997 109.346 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -134.97 128.08 31.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 110.268 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 18.3 tptm -40.3 150.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.99 32.17 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 52.140000000000001 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -40.93 162.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.942 -0.863 . . . . 72.530000000000001 110.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -174.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 72.439999999999998 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 1.8 m-70 -127.35 42.18 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.597 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -63.39 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 109.336 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' HMD3 ' A' ' 500' ' ' HEC . 93.9 m -41.98 -27.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 110.395 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -130.56 152.59 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 64.540000000000006 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.94 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 74.540000000000006 110.997 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.42 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 7.7 t-20 -77.12 150.95 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 71.129999999999995 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD22 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -110.02 -37.98 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 64.040000000000006 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 22' ' ' LYS . 30.3 t-80 -40.02 105.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.622 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.53 38.86 8.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 44.340000000000003 111.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.984 HD21 HMA3 ' A' ' 500' ' ' HEC . 11.8 tp -95.66 -33.51 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 52.039999999999999 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.78 97.49 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 73.409999999999997 110.956 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.57 -21.29 3.43 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.946 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.641 ' HD2' HD12 ' A' ' 35' ' ' LEU . 2.7 ptp180 -99.14 169.4 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 0.788 . . . . 72.109999999999999 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -89.14 -173.42 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 74.329999999999998 109.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.785 HG22 ' NE1' ' A' ' 59' ' ' TRP . 70.0 p -92.08 123.87 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 70.109999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 84.98 69.85 1.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 74.219999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -125.6 -48.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 73.109999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -41.56 111.26 0.85 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 52.039999999999999 109.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 73.409999999999997 111.001 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.41 23.47 2.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 111.065 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 7.2 t80 -119.32 169.31 10.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 0.763 . . . . 65.109999999999999 110.986 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.7 70.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 63.25 110.057 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.5 m-85 -62.38 -168.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 74.439999999999998 111.023 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.602 HG23 ' O1D' ' A' ' 500' ' ' HEC . 68.2 p -113.46 157.36 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.373 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.8 62.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 62.109999999999999 109.357 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.05 8.5 43.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.278 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.531 ' OD1' ' CD1' ' A' ' 48' ' ' TYR . 12.7 t-20 -94.99 -63.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.39 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -14.54 62.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 72.329999999999998 109.358 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -53.29 -67.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.049999999999997 109.242 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 75.5 109.215 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.71 70.26 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 73.030000000000001 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.3 pp -127.33 160.06 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 51.130000000000003 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 63' ' ' THR . 3.4 mm -84.94 116.69 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 60.140000000000001 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.785 ' NE1' HG22 ' A' ' 40' ' ' THR . 26.3 m95 -67.69 148.4 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.340000000000003 108.065 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -176.2 -138.06 2.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 111.057 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -89.64 -42.23 11.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.519999999999996 110.327 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.92 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 52.340000000000003 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 58' ' ' ILE . 2.2 p -38.88 -41.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 110.355 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 60' ' ' GLY . 3.6 mp -70.46 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 95' ' ' ILE . 34.1 mmm -44.14 -26.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 54.130000000000003 111.005 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.64 -36.48 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 110.314 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.6 t80 -68.14 -62.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 71.140000000000001 110.988 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD22 HBB2 ' A' ' 500' ' ' HEC . 41.6 mt -40.58 -45.18 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 71.150000000000006 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -45.73 -47.2 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' TYR . 28.5 m-20 -158.02 88.12 2.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 64.010000000000005 109.288 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 62.329999999999998 110.992 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -82.1 -41.63 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.530000000000001 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -76.7 -56.91 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 t80 -44.01 -52.62 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ALA . 6.8 mt -116.96 84.81 16.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.553 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.08 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 71.299999999999997 111.036 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.0 -2.45 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 72.129999999999995 111.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 75' ' ' ILE . 6.8 t -72.54 145.38 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 72.540000000000006 110.468 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.6 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.7 OUTLIER -85.23 -15.3 44.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -51.56 117.83 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.011 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.2 mm -90.27 102.99 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -165.81 123.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.963 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.33 -28.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 54.109999999999999 109.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . 112.74 -173.45 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 70.239999999999995 111.065 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -126.42 125.6 67.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 62.43 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.5 -54.14 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 65.040000000000006 109.336 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -56.68 128.04 34.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -73.86 -40.13 63.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 62.350000000000001 109.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -61.31 -23.69 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.430000000000007 110.233 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -71.52 -45.02 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 110.297 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -76.4 -29.5 57.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.510000000000005 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 44.100000000000001 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.4 t0 -91.06 -53.61 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 61.210000000000001 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.46 -47.89 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.049999999999997 109.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 65' ' ' MET . 91.0 mt -66.3 -29.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 64.129999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -61.33 -63.54 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 53.109999999999999 109.292 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -37.71 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.340000000000003 110.996 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.12 HD21 ' CE2' ' A' ' 10' ' ' PHE . 43.9 mt -61.31 -53.41 57.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 71.329999999999998 109.219 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 96' ' ' ALA . 4.1 mptt -57.8 -17.87 18.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.109999999999999 109.25 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 104' ' ' GLU . 31.4 mmtp -97.5 -20.8 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 72.409999999999997 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.45 -77.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.540000000000006 109.311 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -58.86 -38.3 78.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 110.382 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.87 31.52 6.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 72.299999999999997 109.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 34.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 64.019999999999996 110.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.984 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 73.120000000000005 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -93.68 145.17 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 74.019999999999996 109.312 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.1 t -92.0 -55.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.167 . . . . 72.340000000000003 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.36 -49.45 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.68 -54.01 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 109.335 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.863 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -62.69 -12.31 40.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 11' ' ' ILE . 45.7 tttt -84.95 -48.1 9.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 72.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -59.12 -34.25 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.863 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.8 mt -68.11 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 109.346 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.086 ' CE2' HD21 ' A' ' 98' ' ' LEU . 2.5 t80 -42.86 -42.43 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 75.109999999999999 110.989 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.656 HD11 ' HG2' ' A' ' 7' ' ' LYS . 25.6 mt -49.16 -43.82 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 64.230000000000004 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 11' ' ' ILE . 33.2 mtm -125.33 37.22 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 111.034 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.66 -74.34 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 61.539999999999999 109.378 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.21 -42.73 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 108.293 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 39.6 t -39.57 -32.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 53.25 110.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -41.03 -51.61 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -51.84 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 61.520000000000003 108.311 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 19' ' ' THR . 81.4 m-70 -61.17 175.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.561 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -159.82 116.76 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.25 110.434 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -87.79 56.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.299999999999997 109.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.6 pt-20 -133.87 127.67 33.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -40.49 142.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 74.129999999999995 109.307 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . 44.69 39.98 6.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 111.004 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -50.1 -178.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 72.530000000000001 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 176.28 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 72.439999999999998 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 46' ' ' TYR . 1.9 m-70 -114.73 35.39 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.623 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 mmmt -57.49 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.391 1.057 . . . . 74.099999999999994 109.336 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HMD3 ' A' ' 500' ' ' HEC . 82.4 m -38.32 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 74.510000000000005 110.344 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -127.23 154.67 19.57 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.5 Cg_endo -74.94 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 74.540000000000006 111.03 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' THR . 7.1 t-20 -78.11 141.61 38.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.3 72.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.28 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.645 ' CD2' ' N ' ' A' ' 22' ' ' LYS . 23.0 t-80 -130.81 66.87 1.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 109.661 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 119.74 8.09 9.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 44.340000000000003 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD21 ' CD1' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -55.26 -20.62 11.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 52.039999999999999 109.237 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 64' ' ' LEU . 19.2 m-85 -80.25 87.52 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.916 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.77 -7.46 4.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 26.6 ptt180 -105.5 146.41 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 72.109999999999999 110.313 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.75 162.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.061 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.2 p -75.87 128.44 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 70.109999999999999 110.427 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.51 66.91 2.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 110.997 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 6.5 tp-100 -112.92 -29.64 7.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 73.109999999999999 110.26 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -40.44 116.56 1.29 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 52.039999999999999 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.29 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 73.409999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' TYR . . . 76.81 -54.54 3.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.167 . . . . 73.439999999999998 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 6.6 t80 -39.77 160.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 0.79 . . . . 65.109999999999999 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -113.71 63.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.25 109.979 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 4.8 m-85 -52.82 -171.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 111.04 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -113.45 155.38 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.361 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -11.99 47.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 62.109999999999999 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -98.14 -7.74 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.230000000000004 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -66.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.349999999999994 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -16.39 62.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 72.329999999999998 109.233 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -51.26 -59.61 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 74.049999999999997 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -40.57 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.5 109.303 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.71 20.2 76.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.591 1.182 . . . . 73.030000000000001 110.923 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -91.78 170.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.744 . . . . 51.130000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG21 ' A' ' 63' ' ' THR . 7.3 mm -100.25 109.17 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 60.140000000000001 109.388 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.061 ' NE1' HG22 ' A' ' 40' ' ' THR . 74.4 m95 -56.98 142.19 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 108.014 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.96 -140.11 2.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 65.120000000000005 110.961 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -89.48 -39.37 13.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 74.519999999999996 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 -60.66 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 52.340000000000003 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 58' ' ' ILE . 11.1 p -44.47 -26.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 60' ' ' GLY . 47.3 mt -86.39 -61.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 64.340000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.3 ttm -38.41 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 54.130000000000003 111.042 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.2 tp10 -86.57 -49.69 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.140000000000001 110.357 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 37.8 t80 -57.48 -56.52 20.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.140000000000001 111.04 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 95' ' ' ILE . 23.9 mt -40.75 -53.52 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 71.150000000000006 109.281 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -52.15 -56.63 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 110.276 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.03 87.86 38.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 64.010000000000005 109.285 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.0 Cg_endo -75.07 -39.8 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 62.329999999999998 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.59 -63.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -48.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.242 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 8.3 t80 -37.81 -48.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' ALA . 1.5 mt -116.54 86.07 17.73 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 74.510000000000005 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.04 101.24 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 71.299999999999997 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.79 -4.81 6.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.4 t -65.26 152.94 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 72.540000000000006 110.436 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HG3' HMD2 ' A' ' 500' ' ' HEC . 6.1 pttt -106.01 15.4 26.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.508 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 10.5 ttt -86.71 111.69 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 72.200000000000003 111.048 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -96.02 94.21 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.319999999999993 109.287 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CZ ' HBB2 ' A' ' 500' ' ' HEC . 9.7 t80 -119.09 136.84 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.010000000000005 110.952 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 t -65.04 -17.07 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 54.109999999999999 109.21 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.23 174.9 28.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 70.239999999999995 110.943 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 90' ' ' GLU . 56.0 mt -136.46 156.22 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.52 0.777 . . . . 62.43 109.317 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -125.19 -44.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 65.040000000000006 109.245 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.68 144.19 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -86.4 -36.08 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.350000000000001 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.23 -0.61 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.313 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CG ' HG21 ' A' ' 85' ' ' ILE . 31.2 tp10 -92.46 -68.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 73.099999999999994 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 68' ' ' LEU . 46.2 mtm-85 -55.0 -42.32 72.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 72.510000000000005 110.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.63 -21.75 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 44.100000000000001 109.302 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 4.8 m-20 -95.34 -60.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 61.210000000000001 109.345 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 9' ' ' ILE . 1.8 tm? -44.88 -28.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.388 1.055 . . . . 74.049999999999997 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 HD12 ' A' ' 68' ' ' LEU . 93.4 mt -83.12 -42.37 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.21 -53.11 47.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 53.109999999999999 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.1 t80 -49.26 -46.48 46.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.086 HD21 ' CE2' ' A' ' 10' ' ' PHE . 71.2 mt -58.99 -40.38 84.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 109.375 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -64.67 -12.69 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -115.25 -9.35 12.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.409999999999997 109.266 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -96.45 -75.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.318 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -60.63 -20.29 60.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 71.340000000000003 110.45 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 8.7 t-20 -71.05 -20.82 62.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.299999999999997 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 64.019999999999996 110.307 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.794 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 73.120000000000005 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.77 121.57 13.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 74.019999999999996 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.81 -36.89 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 72.340000000000003 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -55.77 -60.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -58.4 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 9' ' ' ILE . . . -49.05 -34.3 16.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 110.993 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 14.6 tttt -68.36 -59.13 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 72.230000000000004 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.96 -39.32 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 71.230000000000004 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.703 HD12 ' HA2' ' A' ' 6' ' ' GLY . 9.6 mt -67.72 -64.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.067 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 2.2 t80 -52.46 -19.8 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.109999999999999 110.986 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 7' ' ' LYS . 28.7 mt -76.29 -34.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 64.230000000000004 109.308 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ptm -123.34 27.48 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -125.28 -78.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 61.539999999999999 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -85.47 -41.29 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 73.310000000000002 108.26 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 2.7 t -39.58 -32.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.25 109.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 34.5 tp60 -40.64 -50.24 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 64.140000000000001 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -56.84 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 61.520000000000003 108.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 19' ' ' THR . 89.6 m-70 -55.62 172.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.430000000000007 109.634 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 18' ' ' HIS . 2.6 p -158.18 107.5 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 74.25 110.445 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 20' ' ' VAL . 3.6 m -87.88 52.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.303 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.27 125.07 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.450000000000003 110.347 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -40.5 114.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.273 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 45.5 28.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 52.140000000000001 110.972 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -163.69 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.968 -0.853 . . . . 72.530000000000001 110.968 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -114.05 156.08 24.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 72.439999999999998 109.324 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 46' ' ' TYR . 15.0 m-70 -92.05 35.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 109.553 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.8 mmmm -58.71 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.261 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' HMD3 ' A' ' 500' ' ' HEC . 5.9 m -38.35 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 110.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -128.68 141.67 12.8 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.498 1.124 . . . . 64.540000000000006 111.006 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.02 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.425 1.75 . . . . 74.540000000000006 110.987 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' THR . 29.3 t-20 -69.15 144.17 53.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD22 HD22 ' A' ' 35' ' ' LEU . 63.7 mt -114.57 -5.79 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.040000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 74.150000000000006 109.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 102' ' ' THR . . . 117.97 48.81 0.39 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 44.340000000000003 111.039 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.057 HD21 HMA3 ' A' ' 500' ' ' HEC . 17.7 tp -101.3 -13.12 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 52.039999999999999 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 14.3 m-85 -94.32 113.52 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 73.409999999999997 110.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.78 -16.3 5.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 72.030000000000001 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -130.42 155.99 45.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 0.739 . . . . 72.109999999999999 110.282 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 58' ' ' ILE . 23.5 mttm -65.41 -173.35 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.009 HG22 ' NE1' ' A' ' 59' ' ' TRP . 21.3 p -74.81 170.46 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 70.109999999999999 110.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 48' ' ' TYR . . . 37.85 71.22 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.43 1.081 . . . . 74.219999999999999 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -113.33 -18.12 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.109999999999999 110.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . . . -74.1 140.11 76.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.039999999999999 109.237 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 73.409999999999997 110.976 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' TYR . . . 46.84 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 30' ' ' PRO . 29.1 t80 -37.3 100.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 65.109999999999999 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -81.51 128.34 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.25 109.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 48.2 m-85 -76.1 -174.25 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HBD2 ' A' ' 500' ' ' HEC . 68.3 p -82.15 162.58 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 75.510000000000005 110.353 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -17.51 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 62.109999999999999 109.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 75' ' ' ILE . . . -100.06 5.73 45.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 71.230000000000004 109.263 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD2' ' A' ' 48' ' ' TYR . 11.4 t-20 -96.77 -54.99 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.19 . . . . 74.349999999999994 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.08 60.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.85 -58.94 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 74.049999999999997 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.5 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.62 28.86 45.75 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 110.993 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' THR . 1.5 pp -101.34 161.82 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 51.130000000000003 109.276 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 39' ' ' LYS . 4.7 mt -89.21 100.08 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 60.140000000000001 109.364 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.009 ' NE1' HG22 ' A' ' 40' ' ' THR . 91.6 m95 -46.96 151.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.994 -1.113 . . . . 71.340000000000003 107.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.717 ' O ' HD13 ' A' ' 64' ' ' LEU . . . -178.08 -131.86 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 111.056 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.553 ' CG ' ' HZ1' ' A' ' 99' ' ' LYS . 10.4 mt-10 -89.65 -54.3 4.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 74.519999999999996 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -62.68 -63.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 52.340000000000003 109.35 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.988 HG21 HD13 ' A' ' 57' ' ' ILE . 2.3 p -38.87 -52.73 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 72.519999999999996 110.447 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 60' ' ' GLY . 8.8 mp -59.52 -63.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 64.340000000000003 109.318 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.9 mtp -43.91 -25.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 54.130000000000003 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' LEU . 49.2 tt0 -85.59 -39.3 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.9 t80 -73.08 -58.98 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 71.140000000000001 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -41.25 -38.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 71.150000000000006 109.238 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.71 -63.72 1.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -136.1 89.51 20.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.1 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 62.329999999999998 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -97.7 -32.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 74.530000000000001 109.317 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -86.67 -49.07 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 73.420000000000002 109.389 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.98 -39.88 95.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.014 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HH2' ' A' ' 59' ' ' TRP . 1.9 mt -126.14 74.05 72.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 74.510000000000005 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 71.299999999999997 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.22 -7.94 9.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 111.007 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 75' ' ' ILE . 10.2 t -76.71 146.16 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.6 0.823 . . . . 72.540000000000006 110.453 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.601 ' CG ' HMD2 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -81.61 -15.68 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.497 ' HB2' ' C1D' ' A' ' 500' ' ' HEC . 11.9 ttt -59.36 85.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 72.200000000000003 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 81' ' ' ILE . 9.7 mm -79.98 106.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 109.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -138.0 120.06 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 75.010000000000005 111.055 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 t -56.42 -19.03 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 54.109999999999999 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.34 -179.01 38.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 110.981 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.688 HG21 ' H ' ' A' ' 91' ' ' ARG . 35.2 mt -119.8 101.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 0.8 . . . . 62.43 109.303 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -59.52 -57.16 14.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 65.040000000000006 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.554 ' O ' HG22 ' A' ' 85' ' ' ILE . 35.2 mmtt -63.06 122.31 15.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 ttmt -73.6 -32.71 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 62.350000000000001 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.17 -6.49 34.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 70.430000000000007 110.332 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -89.99 -74.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 73.099999999999994 110.215 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' HG21 ' A' ' 85' ' ' ILE . 26.6 ptt-85 -54.12 -39.17 66.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 72.510000000000005 110.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LYS . . . -47.7 -41.17 22.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 44.100000000000001 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.35 -35.81 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.229 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 HD13 ' HB ' ' A' ' 9' ' ' ILE . 5.9 tp -50.99 -35.26 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.049999999999997 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.772 ' CG2' ' HZ2' ' A' ' 99' ' ' LYS . 60.9 mt -76.75 -50.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 64.129999999999995 109.228 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.81 11.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 53.109999999999999 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 7.5 t80 -57.58 -44.13 85.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 45.6 mt -60.67 -41.26 94.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.272 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.772 ' HZ2' ' CG2' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -64.89 -12.36 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.324 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.02 -8.81 12.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 72.409999999999997 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -101.85 -78.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -58.43 -16.08 13.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 71.340000000000003 110.412 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 27.2 t-20 -76.5 -68.7 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 72.299999999999997 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 64.019999999999996 110.26 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 1.057 HMA3 HD21 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_